 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Boat_STD_B3LYPDBJ-augccpVDZr.in
 Output=18_methylcyclopentanone_Boat_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/18_methylcyclopentanone_Boat_STD/Gau-9962.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/18_methylcyclopentanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9965.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Boat_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.633721000000      1.221277000000     -0.338752000000
  C                                                 1.202323000000     -0.162379000000     -0.033480000000
  C                                                 0.137211000000     -0.968205000000      0.702463000000
  C                                                -1.174040000000     -0.198817000000      0.488459000000
  C                                                -0.703929000000      1.273985000000      0.406927000000
  O                                                 2.304239000000     -0.549644000000     -0.325314000000
  H                                                 0.503664000000      1.289578000000     -1.422345000000
  H                                                 1.346883000000      1.995992000000     -0.058182000000
  H                                                 0.420796000000     -0.975077000000      1.760549000000
  H                                                 0.126808000000     -2.003965000000      0.363566000000
  H                                                -1.851041000000     -0.333959000000      1.333578000000
  C                                                -1.889774000000     -0.644315000000     -0.786475000000
  H                                                -0.549986000000      1.664030000000      1.415809000000
  H                                                -1.441119000000      1.913307000000     -0.079228000000
  H                                                -1.248924000000     -0.537622000000     -1.665524000000
  H                                                -2.789893000000     -0.050884000000     -0.957715000000
  H                                                -2.184175000000     -1.693520000000     -0.722841000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1          12           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526762   0.000000
     3  C    2.474769   1.524936   0.000000
     4  C    2.443142   2.433280   1.535296   0.000000
     5  C    1.532359   2.427117   2.412939   1.548159   0.000000
     6  O    2.434537   1.203894   2.434652   3.589391   3.593171
     7  H    1.093505   2.127263   3.121967   2.946385   2.191976
     8  H    1.089726   2.163348   3.290646   3.386895   2.223387
     9  H    3.045714   2.118915   1.095451   2.182726   2.855797
    10  H    3.339521   2.169290   1.089843   2.228534   3.381858
    11  H    3.374832   3.349824   2.180303   1.091247   2.181750
    12  C    3.170003   3.218746   2.535845   1.528463   2.551531
    13  H    2.162331   2.916641   2.812430   2.172469   1.092555
    14  H    2.202548   3.361302   3.377170   2.203331   1.090196
    15  H    2.898000   2.968668   2.777433   2.181751   2.806064
    16  H    3.704408   4.099321   3.487923   2.173542   2.822901
    17  H    4.072359   3.779944   2.818937   2.172961   3.503368
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.797907   0.000000
     8  H    2.732792   1.752421   0.000000
     9  H    2.842389   3.907217   3.604535   0.000000
    10  H    2.707547   3.765491   4.203107   1.759716   0.000000
    11  H    4.479374   3.971853   4.194328   2.398871   2.764368
    12  C    4.220353   3.142104   4.239998   3.454775   2.690324
    13  H    4.009796   3.050494   2.425069   2.833046   3.875494
    14  H    4.489364   2.444419   2.789307   3.897983   4.242580
    15  H    3.797535   2.543494   3.967488   3.836314   2.856573
    16  H    5.157410   3.586117   4.702316   4.307159   3.750660
    17  H    4.648907   4.075863   5.150014   3.670049   2.572411
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.142999   0.000000
    13  H    2.385679   3.460281   0.000000
    14  H    2.685938   2.691267   1.758236   0.000000
    15  H    3.065720   1.093069   3.851026   2.925804   0.000000
    16  H    2.492308   1.091649   3.686696   2.539484   1.764226
    17  H    2.487618   1.091583   4.303201   3.738391   1.760524
                   16         17
    16  H    0.000000
    17  H    1.766441   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.53D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4282585           2.2049386           1.8432612
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     13     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       309.8033475478 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0257793054 Hartrees.
 Nuclear repulsion after empirical dispersion term =      309.7775682425 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:              34.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.29D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:               6.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               5.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737270897 LenY= 10737200231
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.946056208301    
 DIIS: error= 2.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.946056208301     IErMin= 1 ErrMin= 2.02D-03
 ErrMax= 2.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-03 BMatP= 3.25D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.219 Goal=   None    Shift=    0.000
 GapD=    0.219 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.64D-02 MaxDP=1.69D+00              OVMax= 1.77D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.52D-02    CP:  1.24D+00
 E= -309.949054821916     Delta-E=       -0.002998613616 Rises=F Damp=F
 DIIS: error= 5.09D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.949054821916     IErMin= 2 ErrMin= 5.09D-04
 ErrMax= 5.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-04 BMatP= 3.25D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.09D-03
 Coeff-Com:  0.370D-01 0.963D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.368D-01 0.963D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=6.32D-04 MaxDP=5.28D-02 DE=-3.00D-03 OVMax= 7.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.90D-04    CP:  1.25D+00  1.03D+00
 E= -309.948796122216     Delta-E=        0.000258699700 Rises=F Damp=F
 DIIS: error= 9.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -309.949054821916     IErMin= 2 ErrMin= 5.09D-04
 ErrMax= 9.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-04 BMatP= 1.15D-04
 IDIUse=3 WtCom= 2.46D-01 WtEn= 7.54D-01
 Coeff-Com: -0.959D-02 0.673D+00 0.337D+00
 Coeff-En:   0.000D+00 0.747D+00 0.253D+00
 Coeff:     -0.236D-02 0.729D+00 0.274D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=7.86D-03 DE= 2.59D-04 OVMax= 4.07D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.48D-05    CP:  1.25D+00  1.03D+00  9.24D-01
 E= -309.949136670197     Delta-E=       -0.000340547981 Rises=F Damp=F
 DIIS: error= 1.37D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.949136670197     IErMin= 4 ErrMin= 1.37D-04
 ErrMax= 1.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-05 BMatP= 1.15D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.37D-03
 Coeff-Com: -0.460D-02 0.202D+00-0.260D-01 0.828D+00
 Coeff-En:   0.000D+00 0.753D-01 0.000D+00 0.925D+00
 Coeff:     -0.459D-02 0.202D+00-0.260D-01 0.828D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=4.20D-05 MaxDP=1.61D-03 DE=-3.41D-04 OVMax= 7.80D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.25D+00  1.04D+00  9.42D-01  1.27D+00
 E= -309.949145495041     Delta-E=       -0.000008824844 Rises=F Damp=F
 DIIS: error= 3.01D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.949145495041     IErMin= 5 ErrMin= 3.01D-05
 ErrMax= 3.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-07 BMatP= 1.12D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.916D-03 0.988D-02-0.561D-01 0.434D+00 0.614D+00
 Coeff:     -0.916D-03 0.988D-02-0.561D-01 0.434D+00 0.614D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.11D-05 MaxDP=5.30D-04 DE=-8.82D-06 OVMax= 1.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.25D-06    CP:  1.25D+00  1.04D+00  9.59D-01  1.29D+00  7.50D-01
 E= -309.949145839432     Delta-E=       -0.000000344391 Rises=F Damp=F
 DIIS: error= 2.29D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.949145839432     IErMin= 6 ErrMin= 2.29D-06
 ErrMax= 2.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-09 BMatP= 3.33D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-03-0.202D-02-0.178D-01 0.122D+00 0.197D+00 0.701D+00
 Coeff:     -0.198D-03-0.202D-02-0.178D-01 0.122D+00 0.197D+00 0.701D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.58D-06 MaxDP=7.93D-05 DE=-3.44D-07 OVMax= 1.43D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.70D-07    CP:  1.25D+00  1.04D+00  9.61D-01  1.29D+00  7.68D-01
                    CP:  9.99D-01
 E= -309.949145841952     Delta-E=       -0.000000002520 Rises=F Damp=F
 DIIS: error= 9.23D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.949145841952     IErMin= 7 ErrMin= 9.23D-07
 ErrMax= 9.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-10 BMatP= 3.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-04-0.179D-02-0.432D-02 0.260D-01 0.472D-01 0.344D+00
 Coeff-Com:  0.589D+00
 Coeff:     -0.206D-04-0.179D-02-0.432D-02 0.260D-01 0.472D-01 0.344D+00
 Coeff:      0.589D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=5.62D-07 MaxDP=4.64D-05 DE=-2.52D-09 OVMax= 6.06D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.11D-07    CP:  1.25D+00  1.04D+00  9.62D-01  1.30D+00  7.71D-01
                    CP:  1.02D+00  7.34D-01
 E= -309.949145842579     Delta-E=       -0.000000000628 Rises=F Damp=F
 DIIS: error= 1.44D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.949145842579     IErMin= 8 ErrMin= 1.44D-07
 ErrMax= 1.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-11 BMatP= 6.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.787D-05-0.318D-03 0.173D-03-0.221D-02-0.226D-02 0.431D-01
 Coeff-Com:  0.183D+00 0.778D+00
 Coeff:      0.787D-05-0.318D-03 0.173D-03-0.221D-02-0.226D-02 0.431D-01
 Coeff:      0.183D+00 0.778D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.23D-07 MaxDP=6.52D-06 DE=-6.28D-10 OVMax= 9.95D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.47D-08    CP:  1.25D+00  1.04D+00  9.62D-01  1.30D+00  7.71D-01
                    CP:  1.03D+00  7.67D-01  9.38D-01
 E= -309.949145842601     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.74D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.949145842601     IErMin= 9 ErrMin= 3.74D-08
 ErrMax= 3.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.74D-13 BMatP= 1.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.360D-05-0.777D-04 0.158D-03-0.135D-02-0.182D-02 0.735D-02
 Coeff-Com:  0.494D-01 0.270D+00 0.677D+00
 Coeff:      0.360D-05-0.777D-04 0.158D-03-0.135D-02-0.182D-02 0.735D-02
 Coeff:      0.494D-01 0.270D+00 0.677D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.59D-08 MaxDP=4.74D-07 DE=-2.24D-11 OVMax= 2.95D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  1.25D+00  1.04D+00  9.62D-01  1.30D+00  7.72D-01
                    CP:  1.03D+00  7.72D-01  9.43D-01  9.36D-01
 E= -309.949145842602     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.949145842602     IErMin=10 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-13 BMatP= 7.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.965D-06-0.936D-05 0.580D-04-0.436D-03-0.644D-03 0.405D-04
 Coeff-Com:  0.764D-02 0.591D-01 0.313D+00 0.622D+00
 Coeff:      0.965D-06-0.936D-05 0.580D-04-0.436D-03-0.644D-03 0.405D-04
 Coeff:      0.764D-02 0.591D-01 0.313D+00 0.622D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=4.95D-09 MaxDP=3.23D-07 DE=-1.14D-13 OVMax= 9.28D-08

 SCF Done:  E(RB3LYP) =  -309.949145843     A.U. after   10 cycles
            NFock= 10  Conv=0.49D-08     -V/T= 2.0063
 KE= 3.080226172184D+02 PE=-1.340073841805D+03 EE= 4.123245105014D+02
 Leave Link  502 at Thu Jul  8 18:10:25 2021, MaxMem= 10737418240 cpu:             621.8 elap:              39.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.59034233D+02

 Leave Link  801 at Thu Jul  8 18:10:25 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 3.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 2.85D-01 1.11D-01.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 3.16D-02 2.63D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.65D-03 6.99D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 4.78D-05 1.19D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 9.75D-07 1.51D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 1.56D-08 1.69D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 1.23D-10 1.74D-06.
      8 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 7.56D-13 1.47D-07.
      1 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 5.63D-15 1.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension    97 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.831213D+02
      2 -0.924864D+00  0.764441D+02
      3 -0.159910D+01 -0.189240D+01  0.670568D+02
 Isotropic polarizability for W=    0.093368       75.54 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.213714D+02 -0.176991D+02 -0.268298D+02
      2   0.115620D+02  0.166055D+02  0.100883D+02
      3   0.980942D+01  0.109355D+01  0.167415D+02
      4  -0.858231D+01 -0.298898D+02 -0.953977D+01
      5  -0.230032D+02 -0.709367D+01 -0.410539D+02
      6  -0.279216D+00  0.257491D+01  0.562741D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.337604D+01  0.196484D-02 -0.201214D+01
      2  -0.101652D+02 -0.390231D+01 -0.187587D+02
      3   0.562282D+01  0.137639D+02  0.346022D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.244610D+01 -0.751337D+01 -0.453386D+01
      2  -0.382657D+01 -0.926056D+01 -0.508633D+02
      3   0.911675D+01  0.414518D+02  0.681446D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.390478D+00  0.112332D+01 -0.329807D+00
      2   0.112332D+01  0.110299D+01  0.722413D-01
      3  -0.329807D+00  0.722413D-01  0.144048D+01
 OR G Eigenvalues:    -0.4815     1.4518     1.9637  Iso=    -0.9780
 Eigenvectors:
   (1)   0.801944  -0.575782   0.159250
   (2)   0.036057   0.312738   0.949155
   (3)   0.596310   0.755427  -0.271559
 w=    0.093368 a.u., Optical Rotation Beta=     -0.9780 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =     -561.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 6.91D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.33D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 4.60D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 3.04D-02 5.19D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 1.72D-03 7.17D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 3.69D-05 1.72D-03.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 2.11D-07 4.44D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 6.87D-10 2.07D-06.
     22 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 9.95D-13 9.52D-08.
      1 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 1.17D-15 2.82D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 8.88D-16
 Solved reduced A of dimension   203 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.25D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.25D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.85D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.831213D+02 -0.924864D+00 -0.159910D+01
      2  -0.924864D+00  0.764441D+02 -0.189240D+01
      3  -0.159910D+01 -0.189240D+01  0.670568D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.337604D+01  0.196484D-02 -0.201214D+01
      2  -0.101652D+02 -0.390231D+01 -0.187587D+02
      3   0.562282D+01  0.137639D+02  0.346022D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.213714D+02 -0.176991D+02 -0.268298D+02
      2   0.115620D+02  0.166055D+02  0.100883D+02
      3   0.980942D+01  0.109355D+01  0.167415D+02
      4  -0.858231D+01 -0.298898D+02 -0.953977D+01
      5  -0.230032D+02 -0.709367D+01 -0.410539D+02
      6  -0.279216D+00  0.257491D+01  0.562741D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.268192D-01 -0.248767D+01 -0.122160D+01 -0.194353D+01 -0.385761D+01
      2  -0.248767D+01 -0.556472D+01  0.750628D+00 -0.385761D+01 -0.281202D-01
      3  -0.122160D+01  0.750628D+00  0.364241D+00  0.941055D-01 -0.988541D+00
                 6             7             8             9            10 
      1   0.941055D-01 -0.133676D+01 -0.111383D+01  0.754823D+00 -0.595650D+01
      2  -0.988541D+00 -0.111383D+01 -0.217555D+00 -0.112423D+01  0.436479D+01
      3  -0.331890D+00  0.754823D+00 -0.112423D+01  0.533948D+01  0.103149D+01
                11            12            13            14            15 
      1   0.436479D+01  0.103149D+01  0.315996D+01  0.882558D+00 -0.874935D+00
      2   0.518347D+01 -0.283129D+01  0.882558D+00 -0.344337D+01  0.664806D+00
      3  -0.283129D+01  0.123898D+01 -0.874935D+00  0.664806D+00  0.365637D+00
                16            17            18            19            20 
      1   0.144378D+01 -0.113788D+01 -0.375551D+00  0.119054D+01 -0.301310D+01
      2  -0.113788D+01 -0.116753D+01  0.947196D+00 -0.301310D+01 -0.163208D+01
      3  -0.375551D+00  0.947196D+00 -0.233581D+00  0.117620D+01  0.123785D+01
                21            22            23            24            25 
      1   0.117620D+01 -0.212301D+01 -0.139117D+00  0.281290D+00 -0.115193D+01
      2   0.123785D+01 -0.139117D+00  0.724882D+01  0.125838D+01  0.472158D+00
      3  -0.282749D+01  0.281290D+00  0.125838D+01 -0.359438D+00 -0.197952D+01
                26            27            28            29            30 
      1   0.472158D+00 -0.197952D+01 -0.142219D+01  0.248101D+01 -0.217889D+01
      2   0.262528D+01  0.308753D+00  0.248101D+01 -0.340936D+01  0.118821D+01
      3   0.308753D+00 -0.571325D+01 -0.217889D+01  0.118821D+01  0.436730D+01
                31            32            33            34            35 
      1   0.204391D+01 -0.219865D+01  0.906858D+00 -0.182262D+01  0.759288D+00
      2  -0.219865D+01 -0.527114D+01 -0.959834D+00  0.759288D+00  0.797172D+00
      3   0.906858D+00 -0.959834D+00  0.196130D+01  0.526452D+01  0.215164D+01
                36            37            38            39            40 
      1   0.526452D+01  0.541922D+00 -0.191851D+01  0.252892D+01 -0.681638D+00
      2   0.215164D+01 -0.191851D+01  0.326755D+01 -0.991682D+00  0.371611D+01
      3  -0.358346D+00  0.252892D+01 -0.991682D+00 -0.139521D+01 -0.147502D+01
                41            42            43            44            45 
      1   0.371611D+01 -0.147502D+01  0.277360D+01 -0.227386D+01 -0.105879D+01
      2   0.233098D+01  0.113335D+00 -0.227386D+01 -0.134103D+00 -0.379619D+01
      3   0.113335D+00 -0.229289D+01 -0.105879D+01 -0.379619D+01 -0.515368D+01
                46            47            48            49            50 
      1   0.153091D+02 -0.380557D+01 -0.206969D+01 -0.313300D+01  0.376681D+01
      2  -0.380557D+01  0.745413D+00  0.120527D+01  0.376681D+01 -0.204002D+01
      3  -0.206969D+01  0.120527D+01  0.122441D+01  0.779363D+00 -0.120259D+01
                51            52            53            54            55 
      1   0.779363D+00 -0.213108D+01  0.756808D+00  0.391359D+01 -0.624513D+00
      2  -0.120259D+01  0.756808D+00 -0.241326D+00 -0.160320D+01  0.564346D+00
      3  -0.712590D+00  0.391359D+01 -0.160320D+01 -0.189119D+01 -0.982493D+00
                56            57            58            59            60 
      1   0.564346D+00 -0.982493D+00  0.112347D+00  0.200615D+00  0.133781D+00
      2   0.577848D+00 -0.113979D+00  0.200615D+00  0.877896D+00 -0.978051D+00
      3  -0.113979D+00 -0.353303D+00  0.133781D+00 -0.978051D+00  0.542324D+00
                61            62            63            64            65 
      1  -0.159750D+01  0.285715D+00 -0.572418D-01  0.439308D+01  0.345849D+01
      2   0.285715D+00 -0.224959D+01  0.231736D+01  0.345849D+01  0.466413D+01
      3  -0.572418D-01  0.231736D+01 -0.829816D+01  0.238715D+00 -0.707944D-01
                66            67            68            69            70 
      1   0.238715D+00  0.279053D+01  0.305812D+01  0.100892D+00  0.115248D+01
      2  -0.707944D-01  0.305812D+01  0.607854D+01  0.530961D+00  0.970840D+00
      3   0.659037D+00  0.100892D+00  0.530961D+00  0.888937D+00  0.521238D+00
                71            72            73            74            75 
      1   0.970840D+00  0.521238D+00  0.775807D+00  0.265701D-01  0.140187D+01
      2   0.135437D+01  0.129318D+01  0.265701D-01  0.700205D+00 -0.850363D+00
      3   0.129318D+01 -0.347660D-01  0.140187D+01 -0.850363D+00  0.216654D+01
                76            77            78            79            80 
      1   0.476285D+00  0.983648D-01 -0.100962D+00  0.240348D+01 -0.314420D+00
      2   0.983648D-01 -0.101220D+01  0.115423D+01 -0.314420D+00  0.147247D+01
      3  -0.100962D+00  0.115423D+01 -0.282599D+00  0.155073D+01 -0.192023D+01
                81            82            83            84            85 
      1   0.155073D+01 -0.111386D+00 -0.100941D+01 -0.430276D+00 -0.164135D+01
      2  -0.192023D+01 -0.100941D+01  0.547209D+00 -0.301782D+00 -0.593787D-02
      3   0.968974D+01 -0.430276D+00 -0.301782D+00  0.282434D+00 -0.838834D-01
                86            87            88            89            90 
      1  -0.593787D-02 -0.838834D-01 -0.532202D+00  0.149630D+00  0.602131D-01
      2  -0.965580D+01 -0.333362D+00  0.149630D+00 -0.278959D+01 -0.126524D+01
      3  -0.333362D+00 -0.124171D+01  0.602131D-01 -0.126524D+01  0.258645D+00
                91            92            93            94            95 
      1  -0.504909D+01 -0.101789D+01  0.296315D+01 -0.721893D+00 -0.784279D+00
      2  -0.101789D+01 -0.666389D+00  0.173102D+00 -0.784279D+00 -0.702880D-01
      3   0.296315D+01  0.173102D+00 -0.361645D+01  0.162037D+00  0.101709D+01
                96            97            98            99           100 
      1   0.162037D+00  0.338302D+01  0.433817D+00 -0.371003D+01  0.372071D+01
      2   0.101709D+01  0.433817D+00  0.919166D+00 -0.819476D+00 -0.276909D+01
      3  -0.843536D+00 -0.371003D+01 -0.819476D+00  0.543726D+01  0.197245D+01
               101           102           103           104           105 
      1  -0.276909D+01  0.197245D+01 -0.355682D+01  0.428951D+01 -0.134238D+01
      2   0.300138D+01 -0.116608D+01  0.428951D+01  0.625315D+01  0.816547D+00
      3  -0.116608D+01 -0.378463D+01 -0.134238D+01  0.816547D+00 -0.163400D+01
               106           107           108           109           110 
      1   0.128628D+01 -0.131502D+01 -0.417762D+01  0.466987D+00  0.774235D+00
      2  -0.131502D+01 -0.829384D+00 -0.160814D+01  0.774235D+00  0.322906D-01
      3  -0.417762D+01 -0.160814D+01  0.115087D+01  0.763299D+00  0.373377D+00
               111           112           113           114           115 
      1   0.763299D+00  0.675704D+00 -0.305317D+00  0.383535D-01  0.118266D+01
      2   0.373377D+00 -0.305317D+00  0.225621D+01  0.218165D+01  0.463737D+00
      3   0.778392D+00  0.383535D-01  0.218165D+01  0.237466D+01  0.101889D+00
               116           117           118           119           120 
      1   0.463737D+00  0.101889D+00 -0.478354D+01  0.320247D+01 -0.121822D+01
      2   0.314513D+01  0.381831D+01  0.320247D+01 -0.374803D+01  0.669865D+00
      3   0.381831D+01  0.768747D+01 -0.121822D+01  0.669865D+00 -0.900856D+00
               121           122           123           124           125 
      1   0.251646D+01 -0.291231D+01  0.598469D+00 -0.199251D+01  0.133648D+01
      2  -0.291231D+01  0.430371D+01 -0.778262D+00  0.133648D+01 -0.188746D+01
      3   0.598469D+00 -0.778262D+00  0.117559D+01 -0.106265D+01  0.164335D+01
               126           127           128           129           130 
      1  -0.106265D+01  0.190965D+01  0.552963D+00 -0.136284D+01  0.609887D+00
      2   0.164335D+01  0.552963D+00  0.506194D+00  0.329818D+00 -0.309254D-01
      3  -0.574080D+00 -0.136284D+01  0.329818D+00  0.306683D+01  0.115065D+00
               131           132           133           134           135 
      1  -0.309254D-01  0.115065D+00 -0.196920D+01 -0.872317D-01  0.138403D+01
      2  -0.506383D+00 -0.814733D+00 -0.872317D-01 -0.998101D+00 -0.117353D+00
      3  -0.814733D+00  0.450761D+00  0.138403D+01 -0.117353D+00 -0.606474D+01
               136           137           138           139           140 
      1  -0.816394D+01  0.215286D+01 -0.218455D+01  0.398176D+01 -0.229199D+01
      2   0.215286D+01 -0.204804D+01  0.473532D+00 -0.229199D+01  0.136366D+01
      3  -0.218455D+01  0.473532D+00 -0.127453D+01  0.128650D+01 -0.599905D+00
               141           142           143           144           145 
      1   0.128650D+01 -0.123542D+01  0.507551D+00 -0.104991D+01 -0.216978D+01
      2  -0.599905D+00  0.507551D+00 -0.104211D+00  0.583239D+00 -0.155650D+01
      3   0.132092D+01 -0.104991D+01  0.583239D+00 -0.101230D+01 -0.427525D+00
               146           147           148           149           150 
      1  -0.155650D+01 -0.427525D+00 -0.256561D+01 -0.348596D+01 -0.619528D+00
      2  -0.215709D+01 -0.756796D-01 -0.348596D+01 -0.868565D+01 -0.108172D+01
      3  -0.756796D-01  0.431743D-02 -0.619528D+00 -0.108172D+01 -0.138148D+01
               151           152           153 
      1   0.143934D+00  0.106225D+00 -0.797247D-01
      2   0.106225D+00  0.305261D+00 -0.808979D+00
      3  -0.797247D-01 -0.808979D+00 -0.229374D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.567461D+01  0.480541D+01 -0.213701D+01  0.213017D+01  0.297658D+01
      2  -0.845299D+00 -0.128827D+01  0.994494D+00 -0.192263D+01 -0.370974D+01
      3   0.538862D+01  0.981860D+00 -0.503412D+01  0.666756D+01 -0.530110D+01
                 6             7             8             9            10 
      1  -0.405797D+01 -0.491996D+01  0.560737D+01 -0.814830D+01 -0.367877D+01
      2  -0.104126D+01 -0.345589D+01 -0.299965D+01  0.847000D+01 -0.412117D+01
      3  -0.259404D+00 -0.423287D+01 -0.358049D+01  0.449797D+01  0.879683D+00
                11            12            13            14            15 
      1   0.877733D+01 -0.343530D+01  0.559523D+01  0.601896D+01 -0.192559D+00
      2  -0.894352D+01 -0.423799D+01 -0.485111D+01  0.305418D+00  0.218623D+01
      3  -0.576462D+01  0.515297D+01 -0.407838D+00 -0.520458D-01 -0.160007D+01
                16            17            18            19            20 
      1   0.320471D+01  0.191119D+02 -0.714960D+01 -0.527307D+00 -0.207762D+00
      2  -0.125391D+02 -0.211071D+01  0.654531D+01 -0.455612D+01  0.510486D+01
      3   0.322566D+01 -0.537924D+01 -0.308074D+00 -0.507409D+00  0.479976D+01
                21            22            23            24            25 
      1  -0.519616D+01  0.142296D+01  0.970943D+01 -0.262855D+01 -0.101772D+01
      2   0.903022D+00  0.423933D+01 -0.876032D+00  0.258064D+01 -0.488945D+01
      3  -0.268946D+01  0.888984D+01 -0.631816D+01  0.984261D+00 -0.141517D+01
                26            27            28            29            30 
      1   0.577908D+01 -0.885678D+01  0.167577D+01 -0.198937D+01  0.104539D+01
      2   0.934089D+00 -0.173993D+01  0.904741D+01 -0.218311D+01 -0.218346D+01
      3   0.682674D+00  0.219950D+01  0.558366D+01 -0.949339D+01  0.194877D+01
                31            32            33            34            35 
      1  -0.290411D+01 -0.348037D+01 -0.299296D+01 -0.599006D+00  0.506253D+01
      2  -0.411918D+01  0.127116D+01 -0.236196D+01 -0.942113D+01 -0.447132D+01
      3  -0.333912D+01 -0.762513D+01  0.100475D+00  0.106338D+01  0.118827D+00
                36            37            38            39            40 
      1   0.573505D+00 -0.430643D+01  0.561601D+01  0.223234D+01  0.579727D+01
      2  -0.136650D+00 -0.721723D+01  0.395755D+01  0.177262D+01  0.279905D+01
      3   0.124348D+01 -0.582187D+01 -0.735329D+00  0.328877D+01  0.517346D+01
                41            42            43            44            45 
      1   0.307929D+01  0.212004D+01  0.197889D+01  0.986092D+01  0.509978D+01
      2  -0.245208D+01  0.260088D+01 -0.429696D+01  0.535545D+01  0.445907D+01
      3   0.915584D+01 -0.183856D+01  0.367765D+01 -0.419175D+01 -0.420215D+01
                46            47            48            49            50 
      1   0.169931D+01 -0.531414D+01  0.390488D+01 -0.162759D+01 -0.117742D+00
      2  -0.993460D+00  0.203515D+01  0.121915D+02  0.179359D+01 -0.147601D+01
      3  -0.167240D+01 -0.115212D+02 -0.418069D+00 -0.780001D+00  0.576934D+01
                51            52            53            54            55 
      1  -0.259327D+01 -0.750015D+00 -0.373228D+01  0.152202D+01  0.674177D-01
      2  -0.379140D+01  0.460362D+01  0.900412D-01 -0.606888D+01 -0.200779D+01
      3   0.848958D+00  0.143460D+01  0.405173D+01  0.532642D+00 -0.191289D+01
                56            57            58            59            60 
      1   0.985816D+00  0.918294D+00  0.152357D+01  0.101067D+00 -0.688064D+00
      2   0.219370D+00  0.516852D-01 -0.841037D-01 -0.542903D+00 -0.107690D+00
      3  -0.123358D+01 -0.467570D+00  0.607602D+00  0.886277D+00  0.124367D+00
                61            62            63            64            65 
      1   0.972185D+00 -0.313319D+01  0.152983D+02 -0.178153D+01 -0.621507D+01
      2  -0.340221D+01  0.334578D+01 -0.101956D+02  0.221546D+01  0.250812D+01
      3  -0.282382D+01  0.330392D+01 -0.256115D+01  0.393111D+01 -0.680101D+00
                66            67            68            69            70 
      1  -0.153851D+01 -0.250808D+01 -0.486723D+01 -0.290323D+01 -0.149162D+01
      2   0.244321D+01  0.205132D+01  0.358045D+01  0.155690D+01  0.257378D+00
      3   0.655813D+00  0.480026D+01 -0.344618D-01 -0.442165D+00  0.169181D+01
                71            72            73            74            75 
      1  -0.207829D+01 -0.592529D+00 -0.249346D+00 -0.130294D+01  0.484421D+01
      2   0.191015D+01  0.156817D+00  0.111008D+01 -0.495714D-01 -0.498231D+00
      3  -0.127612D+00 -0.249111D+00 -0.104182D+00 -0.200170D+01 -0.138552D+01
                76            77            78            79            80 
      1  -0.129417D+01  0.211851D+00  0.283496D+00  0.103840D+01 -0.688811D+00
      2  -0.785124D+00  0.818253D-01  0.900579D-02 -0.399239D+01  0.556612D+00
      3   0.412895D+00  0.116832D+00 -0.334726D-01 -0.269845D+01  0.416033D+00
                81            82            83            84            85 
      1   0.129672D+02  0.113987D+00  0.916441D-01 -0.498609D+00 -0.175404D+01
      2   0.724380D+00 -0.102818D+01 -0.188947D+00  0.177449D+01  0.157700D+01
      3  -0.257040D+01  0.503159D+00 -0.170220D+01  0.948204D+00  0.590972D+01
                86            87            88            89            90 
      1  -0.121791D+02 -0.381005D+01 -0.511243D+00 -0.346981D+01 -0.140720D+01
      2   0.255719D+00 -0.726143D+00 -0.279764D+00  0.781669D-01 -0.333540D+00
      3   0.312179D+01 -0.140904D+00  0.202132D+01  0.135063D+01  0.229240D+00
                91            92            93            94            95 
      1  -0.721307D+00 -0.179627D+01 -0.694976D+00 -0.306162D+00  0.158069D+00
      2   0.458526D+00  0.316021D+00  0.476375D+01  0.465151D+00 -0.870375D+00
      3   0.390228D+00 -0.284639D+01 -0.723398D+00  0.598515D+00 -0.467121D-01
                96            97            98            99           100 
      1  -0.350501D+00  0.490478D+00  0.286618D+01 -0.106759D+00  0.521662D+01
      2   0.147896D+01  0.868209D-01  0.917690D+00 -0.564758D+01  0.210414D-01
      3   0.133970D+01 -0.108166D+01  0.294345D+01 -0.152761D+00 -0.989286D+01
               101           102           103           104           105 
      1  -0.494473D+01 -0.281362D+01 -0.735362D+01 -0.726595D+01 -0.476986D+01
      2   0.235881D+00  0.148975D+02  0.277691D+00  0.280648D+01  0.228623D+01
      3   0.780371D+01 -0.454531D+01  0.146707D+02  0.112973D+02  0.250713D+01
               106           107           108           109           110 
      1  -0.167683D+01  0.105374D+00  0.371864D+01  0.279578D+00 -0.778629D+00
      2   0.859341D+01  0.240559D+01 -0.760642D+01 -0.865218D+00 -0.103209D+01
      3  -0.414424D+01  0.271393D+00 -0.581554D+00  0.190859D+01  0.127143D+00
               111           112           113           114           115 
      1  -0.925242D+00 -0.309941D+00 -0.121361D+01 -0.379761D+01 -0.842517D-01
      2   0.373206D-01 -0.144702D+01 -0.145597D+01 -0.198923D+01 -0.331401D+01
      3   0.119003D+01  0.218036D+01  0.586724D+00  0.208596D+01  0.313539D+01
               116           117           118           119           120 
      1  -0.576867D+00 -0.103586D+02  0.263082D+01 -0.198037D+01  0.277814D+01
      2  -0.319907D+01 -0.632270D+01  0.341919D+01 -0.264301D+01  0.338254D+01
      3   0.328459D+01  0.270081D+01 -0.584528D+01 -0.135699D+01 -0.109868D+01
               121           122           123           124           125 
      1  -0.233925D+01  0.276790D+01 -0.389960D+01  0.163828D+01 -0.170030D+01
      2  -0.160758D+01  0.229817D+01 -0.243317D+01  0.106536D+01 -0.256458D+01
      3   0.383755D+01 -0.921098D-01  0.102763D+00 -0.312447D+01 -0.109830D+01
               126           127           128           129           130 
      1   0.216424D+01 -0.250709D+01 -0.178723D+01  0.267564D+01 -0.504800D+00
      2   0.187395D+01  0.734371D+01  0.795740D+00 -0.722334D+01  0.129537D+01
      3   0.155107D+00 -0.906296D+00 -0.522795D+00  0.145925D+01  0.467887D+00
               131           132           133           134           135 
      1  -0.545976D+00  0.307657D+00  0.215424D+01  0.333298D+01 -0.496459D+01
      2   0.187255D+01 -0.821115D+00 -0.891567D+01 -0.377363D+00  0.140870D+02
      3  -0.703030D+00 -0.140472D+01  0.126640D+01 -0.117851D+01 -0.132728D+01
               136           137           138           139           140 
      1  -0.428854D+01  0.351511D+01 -0.715705D+00  0.289192D+01 -0.227458D+01
      2  -0.254731D+01  0.106481D+01  0.372372D+01  0.121726D+01 -0.650804D+00
      3   0.947696D+01 -0.916629D+01  0.259784D+01 -0.595070D+01  0.580294D+01
               141           142           143           144           145 
      1   0.881362D-01 -0.118454D+01  0.166828D+01 -0.130978D+01  0.702214D+00
      2  -0.304276D+01 -0.740499D+00 -0.956643D+00  0.197386D+01 -0.233179D+00
      3  -0.174314D+01  0.226968D+01 -0.119295D+01  0.226510D+01 -0.935424D+00
               146           147           148           149           150 
      1   0.252519D+01 -0.443751D+00  0.234015D+01  0.786786D+01 -0.364312D+01
      2  -0.855400D+00  0.735122D+00 -0.899016D+00 -0.437860D+00  0.361588D+01
      3  -0.490888D+01  0.670087D-01 -0.217771D+01 -0.170266D+02 -0.143075D+01
               151           152           153 
      1   0.294609D+00  0.205947D+00  0.603947D+00
      2  -0.920511D+00  0.154798D+01  0.560482D+00
      3  -0.265205D+00  0.325608D+00 -0.187139D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.218426D+00  0.175203D+01  0.618960D+00 -0.397955D+01 -0.592110D+01
      2  -0.531349D+01 -0.169704D+02  0.827097D+00 -0.777623D+01  0.154425D+01
      3   0.553191D+01  0.152183D+02 -0.144606D+01  0.117558D+02  0.437685D+01
      4  -0.798035D+01 -0.168706D+02 -0.308592D+01 -0.683795D+01 -0.165292D+02
      5   0.434378D+00 -0.220943D+01 -0.100404D+00 -0.185427D+01 -0.175687D+01
      6  -0.415953D+01 -0.315116D+00  0.384272D+01 -0.229230D+01 -0.458700D+01
                 6             7             8             9            10 
      1   0.249820D+01  0.540906D+01 -0.439031D+01  0.114880D+02 -0.410136D+02
      2  -0.402866D+01 -0.334467D+01 -0.687014D+01  0.442498D+01  0.209631D+02
      3   0.153046D+01 -0.206439D+01  0.112605D+02 -0.159129D+02  0.200505D+02
      4  -0.157604D+01 -0.767479D+01  0.980204D-01 -0.372721D+01  0.183460D+02
      5  -0.137552D+01 -0.682515D+00 -0.122289D+01  0.481430D+01  0.951088D+01
      6   0.406984D+01  0.354115D+01 -0.436917D+01  0.169943D+02 -0.444256D+01
                11            12            13            14            15 
      1   0.718925D+01  0.110992D+01  0.155233D+02  0.644534D+00 -0.537599D+01
      2   0.380268D+01 -0.593713D+01 -0.944729D+01 -0.225687D+01  0.217516D+01
      3  -0.109919D+02  0.482721D+01 -0.607601D+01  0.161233D+01  0.320084D+01
      4  -0.922393D+01 -0.309178D+01 -0.228354D+01  0.208525D+01  0.162958D+01
      5  -0.208641D+01 -0.960506D+01 -0.269949D+01  0.229579D+01  0.467129D+01
      6   0.746022D+01  0.277582D+01  0.260539D+01  0.738720D+00 -0.415473D+01
                16            17            18            19            20 
      1   0.105461D+02 -0.457149D+01 -0.711116D+01 -0.207670D+01 -0.371746D+01
      2  -0.515726D+01  0.277850D+01 -0.159765D+01  0.382963D+01  0.217055D+01
      3  -0.538884D+01  0.179299D+01  0.870880D+01 -0.175293D+01  0.154691D+01
      4  -0.199776D+01  0.550848D+01  0.321867D+01  0.858385D+00  0.889755D+00
      5   0.197943D+01  0.137993D+01  0.748264D+01 -0.573958D+01 -0.680390D+00
      6   0.176411D+01  0.644948D+00  0.234474D+00 -0.352375D+01 -0.367981D+01
                21            22            23            24            25 
      1   0.626050D+01  0.477259D+01  0.765067D+01  0.373373D+01  0.107632D+01
      2   0.373170D+01 -0.425697D+01 -0.211925D+02 -0.329022D+01  0.147556D+01
      3  -0.999220D+01 -0.515629D+00  0.135418D+02 -0.443512D+00 -0.255188D+01
      4  -0.135827D+00 -0.583136D+00  0.373248D+01 -0.851146D+00 -0.119435D+01
      5  -0.146462D+00 -0.789849D+00 -0.630590D+00  0.441994D+01  0.369057D+01
      6   0.640722D+01  0.343414D+00 -0.410993D+01  0.406220D+01  0.167262D+01
                26            27            28            29            30 
      1   0.113188D+01  0.203865D+02  0.432642D-01 -0.447963D+01  0.758981D+01
      2  -0.897308D+01  0.512946D+01  0.414568D+01  0.139369D+01 -0.552720D+01
      3   0.784120D+01 -0.255160D+02 -0.418894D+01  0.308593D+01 -0.206261D+01
      4  -0.225819D+01  0.361762D+01 -0.530463D+01  0.310324D+01 -0.189726D+01
      5   0.281851D+01 -0.110285D+02  0.147136D+02  0.928042D+00 -0.198485D+02
      6   0.523682D+00  0.122184D+02  0.230761D+01 -0.207277D+01 -0.516424D+01
                31            32            33            34            35 
      1  -0.841638D+01  0.731002D+01 -0.393867D+01  0.493327D+00 -0.416218D+01
      2   0.575811D+01 -0.338707D+01  0.284747D+01 -0.508818D+01  0.590253D+00
      3   0.265827D+01 -0.392295D+01  0.109120D+01  0.459485D+01  0.357193D+01
      4   0.541261D+01  0.780855D+01  0.111797D+01 -0.631891D+01 -0.364361D+01
      5  -0.147573D+01  0.149308D+01 -0.643943D+01 -0.236237D+02 -0.832524D+01
      6   0.126816D+01 -0.860884D+00 -0.222841D+01 -0.569997D+01 -0.438467D-01
                36            37            38            39            40 
      1  -0.181266D+02 -0.327548D+01  0.267556D+01 -0.697569D+00  0.382549D+01
      2   0.146310D+02 -0.479897D+01  0.940004D+01 -0.130118D+01  0.783220D+01
      3   0.349563D+01  0.807445D+01 -0.120756D+02  0.199875D+01 -0.116577D+02
      4  -0.997856D+01  0.583446D+01 -0.147546D+02  0.849797D+01 -0.117844D+02
      5   0.105731D+02 -0.757235D+01  0.374683D+01  0.142881D+01  0.991499D+00
      6   0.147344D+01  0.552875D+01 -0.460490D+01 -0.391603D+01 -0.432359D+01
                41            42            43            44            45 
      1  -0.571684D+01  0.645049D+01 -0.850246D+00  0.104722D+02  0.158348D+02
      2   0.722041D+01  0.193631D+01 -0.220219D+01  0.349184D+01 -0.583712D+01
      3  -0.150356D+01 -0.838680D+01  0.305243D+01 -0.139641D+02 -0.999768D+01
      4   0.771333D+01 -0.349645D+01  0.139553D+02 -0.194028D+01  0.776961D+01
      5  -0.276924D+01  0.154084D+01  0.342984D+01  0.513118D+01  0.258432D+01
      6   0.128837D+01 -0.103510D+02 -0.618019D+00 -0.123186D+02 -0.209301D+02
                46            47            48            49            50 
      1   0.872843D+02 -0.134247D+02 -0.656794D+01 -0.138577D+02  0.104945D+02
      2  -0.457356D+02  0.275993D+01  0.625064D+01  0.425607D+01 -0.325008D+00
      3  -0.415487D+02  0.106648D+02  0.317294D+00  0.960159D+01 -0.101695D+02
      4  -0.267158D+02  0.221407D+02  0.451210D+01  0.244644D+02 -0.160298D+02
      5  -0.119655D+02  0.306600D+01  0.207665D+02  0.451894D+01 -0.446350D+01
      6   0.788353D+01 -0.450235D+01 -0.517216D+01 -0.473113D+01  0.440617D+01
                51            52            53            54            55 
      1   0.182828D+01 -0.768490D+01  0.212492D+01  0.114208D+02 -0.236358D+01
      2  -0.122360D+01  0.664174D+01  0.192005D+00 -0.109827D+02 -0.712031D+00
      3  -0.604684D+00  0.104316D+01 -0.231693D+01 -0.438171D+00  0.307561D+01
      4  -0.550445D+01  0.585110D+01 -0.527607D+01 -0.780047D+01  0.506754D+00
      5  -0.643235D+01  0.235563D+02 -0.709334D+01 -0.126164D+02 -0.518847D+00
      6   0.688614D+01 -0.614570D+01  0.776841D+01  0.389935D+01 -0.260992D+01
                56            57            58            59            60 
      1   0.874167D+00 -0.148594D+01 -0.931211D-01 -0.516000D+01  0.324624D+01
      2   0.577269D+00  0.506475D+00  0.898882D+00  0.429864D+01 -0.404694D+01
      3  -0.145144D+01  0.979468D+00 -0.805761D+00  0.861360D+00  0.800704D+00
      4   0.502749D+01 -0.243687D+01  0.212290D+01  0.272247D+01 -0.943599D+00
      5  -0.129864D+01  0.523144D+01  0.588222D+00 -0.351304D+00 -0.412702D+00
      6  -0.484061D+00 -0.189640D+01 -0.223697D+00 -0.452076D+01  0.685121D+01
                61            62            63            64            65 
      1  -0.345473D+01  0.971696D+01 -0.205216D+02  0.854936D+01  0.145344D+00
      2   0.159497D+01 -0.294704D+01 -0.883765D+01  0.488348D+01  0.134579D+02
      3   0.185976D+01 -0.676992D+01  0.293593D+02 -0.134328D+02 -0.136033D+02
      4  -0.283550D+01 -0.346663D+01  0.510785D+01  0.218264D+02  0.252600D+02
      5   0.490475D+01  0.229338D+01 -0.833761D+01  0.105550D+01  0.536255D+00
      6  -0.916025D-01  0.126804D+02 -0.253457D+02  0.106123D+01  0.529684D+00
                66            67            68            69            70 
      1   0.297358D+00 -0.682643D+00 -0.923161D+01  0.439202D+00  0.752135D+00
      2   0.130803D+00  0.111121D+02  0.266071D+02  0.152790D+01  0.107987D+01
      3  -0.428160D+00 -0.104295D+02 -0.173755D+02 -0.196711D+01 -0.183200D+01
      4   0.820241D+00  0.173326D+02  0.247719D+02  0.166476D+01  0.509979D+01
      5   0.420743D+01  0.957725D+00  0.255355D+01  0.211537D+01  0.365456D+01
      6   0.299501D+01  0.396313D+00  0.126806D+01  0.521904D+01  0.339160D+01
                71            72            73            74            75 
      1  -0.241799D+00 -0.316105D+01  0.495687D+00  0.257919D+01 -0.421285D+01
      2   0.517557D+01  0.261465D+01 -0.426354D+01 -0.435944D+00 -0.356046D+01
      3  -0.493377D+01  0.546399D+00  0.376785D+01 -0.214325D+01  0.777331D+01
      4   0.494232D+01  0.554986D+01 -0.171358D+01  0.385556D+01 -0.426292D+01
      5   0.441134D+01  0.148966D+01  0.584989D+01 -0.268218D+01  0.103388D+02
      6   0.779637D+01  0.275877D+00 -0.279798D+01  0.337598D+01 -0.575740D+01
                76            77            78            79            80 
      1   0.146490D+00 -0.663988D+01  0.237182D+01 -0.187904D+01  0.742526D+01
      2   0.676597D+00  0.426666D+01 -0.361989D+01 -0.259779D+01 -0.589880D+00
      3  -0.823087D+00  0.237322D+01  0.124808D+01  0.447682D+01 -0.683538D+01
      4   0.135326D+01 -0.388437D+00  0.138335D+01 -0.416712D+01  0.208391D+01
      5   0.235381D+00  0.161934D+01 -0.223703D+00  0.651657D+01 -0.247353D+01
      6   0.143178D+01 -0.388618D+01  0.715387D+01 -0.295232D+01  0.105567D+02
                81            82            83            84            85 
      1  -0.281004D+02  0.128172D+00  0.559751D+00 -0.122659D+01 -0.121454D+01
      2  -0.143731D+02  0.308409D+01 -0.149671D+01  0.738199D+00  0.126857D+01
      3   0.424735D+02 -0.321226D+01  0.936954D+00  0.488387D+00 -0.540379D-01
      4  -0.353840D+01 -0.367983D+00  0.928045D+01  0.434233D+00  0.665625D+01
      5   0.123925D+02 -0.617341D+00 -0.125541D+01  0.210046D+01 -0.391606D+00
      6  -0.215664D+02  0.777037D+00  0.676014D+00 -0.285728D+00  0.551917D+00
                86            87            88            89            90 
      1  -0.254053D+02  0.689910D+00 -0.442148D+00 -0.363899D+01 -0.592676D+01
      2   0.452638D+02  0.190369D+01  0.169416D+00  0.896434D+01  0.365276D+01
      3  -0.198585D+02 -0.259359D+01  0.272733D+00 -0.532535D+01  0.227401D+01
      4  -0.178223D+01  0.106793D-01  0.238329D+01 -0.157280D+01 -0.321031D+00
      5   0.220192D+00 -0.675929D+00  0.872483D+00 -0.191420D+00  0.826842D+00
      6  -0.383210D+01  0.634759D+01  0.118175D+00  0.667914D+01  0.422784D+00
                91            92            93            94            95 
      1   0.180726D+02  0.257384D+01 -0.895269D+01  0.255437D+01  0.266236D+00
      2  -0.158820D+02 -0.216411D+01  0.103184D+02 -0.158495D+01 -0.104952D+00
      3  -0.219065D+01 -0.409729D+00 -0.136568D+01 -0.969426D+00 -0.161284D+00
      4   0.556923D+01  0.510368D+01 -0.224963D+01  0.584763D+01  0.140470D+01
      5  -0.217646D+02 -0.246822D+01  0.217417D+02 -0.219616D+01 -0.553946D+01
      6  -0.286936D+01 -0.236583D+01  0.364663D+01 -0.299253D+01 -0.196443D+01
                96            97            98            99           100 
      1  -0.304516D+00 -0.732865D+01 -0.324657D+00  0.280682D+01 -0.204387D+02
      2   0.137132D+00  0.123814D+02  0.143748D+01 -0.166813D+02  0.126980D+02
      3   0.167384D+00 -0.505271D+01 -0.111282D+01  0.138745D+02  0.774069D+01
      4  -0.418415D+01 -0.266131D+01 -0.321932D+01  0.334340D+01  0.124006D+02
      5   0.342852D+01  0.225097D+02  0.378695D+01 -0.277362D+02 -0.122023D+02
      6   0.598313D+01  0.308396D+01  0.478884D+01 -0.524116D+01  0.363801D+01
               101           102           103           104           105 
      1   0.167249D+02 -0.177694D+02  0.226234D+02 -0.115687D+02  0.506127D+01
      2  -0.152345D+02 -0.143488D+00 -0.206251D+02 -0.104975D+02 -0.635848D+01
      3  -0.149035D+01  0.179128D+02 -0.199823D+01  0.220663D+02  0.129721D+01
      4  -0.119882D+02  0.315369D+01 -0.182715D+02 -0.285591D+02 -0.238556D+01
      5   0.775614D+01  0.938267D+01  0.972050D+01 -0.484542D+01  0.646925D+01
      6  -0.379505D+01  0.682630D+01 -0.486925D+01 -0.565797D+01  0.296933D+01
               106           107           108           109           110 
      1  -0.130468D+02  0.467993D+01  0.200116D+02 -0.133352D+01 -0.287343D+01
      2   0.153781D+00 -0.427668D+01 -0.533205D+01  0.248791D+00  0.108826D+01
      3   0.128930D+02 -0.403249D+00 -0.146796D+02  0.108473D+01  0.178517D+01
      4   0.517752D+01  0.238820D+01  0.116099D+02 -0.417446D+00  0.512104D+01
      5   0.105136D+02  0.721984D+01  0.330414D+01  0.640986D+00  0.203854D+01
      6   0.730928D+01  0.167454D+01  0.528493D+00  0.357543D+01  0.256899D+01
               111           112           113           114           115 
      1  -0.270989D+01 -0.698825D+00 -0.980534D+01 -0.917349D+01 -0.218408D+01
      2   0.126794D+01 -0.613451D+00  0.885148D+01  0.602550D+01  0.120997D+01
      3   0.144195D+01  0.131228D+01  0.953857D+00  0.314799D+01  0.974112D+00
      4   0.267766D+01  0.449497D+01 -0.345312D+01 -0.208956D+01  0.320153D+01
      5   0.522782D+01  0.122716D+01 -0.174337D+01 -0.187540D+01  0.436544D+01
      6   0.358058D+01  0.604407D+00  0.126602D+02  0.150888D+02 -0.460328D+00
               116           117           118           119           120 
      1  -0.135968D+02 -0.222260D+02  0.107764D+02 -0.172370D+01  0.211619D+01
      2   0.649175D+01 -0.135251D+01  0.347717D+01 -0.102596D+02  0.848807D+00
      3   0.710508D+01  0.235785D+02 -0.142536D+02  0.119834D+02 -0.296499D+01
      4  -0.492895D+01 -0.580531D+01 -0.222624D+02  0.210603D+02 -0.540033D+01
      5  -0.436736D+01 -0.745018D+01  0.396116D+01 -0.218262D+01  0.452148D+01
      6   0.193998D+02  0.306849D+02 -0.341648D+01  0.182132D+01 -0.368435D+01
               121           122           123           124           125 
      1  -0.125665D+01 -0.392859D+01 -0.946930D-01  0.211573D+01  0.465532D+00
      2  -0.924320D+01  0.175122D+02 -0.363049D+01  0.182126D+01 -0.663016D+01
      3   0.104998D+02 -0.135836D+02  0.372518D+01 -0.393700D+01  0.616462D+01
      4   0.174325D+02 -0.203261D+02  0.415641D+01 -0.921251D+01  0.871490D+01
      5  -0.171870D+01  0.233383D+01 -0.258903D+01  0.515476D+01 -0.431660D+01
      6   0.188076D+01 -0.343617D+01  0.621525D+01 -0.409839D+01  0.748748D+01
               126           127           128           129           130 
      1  -0.183024D+01 -0.503793D+01 -0.114512D+01  0.114869D+02 -0.293585D+01
      2   0.253031D+01 -0.652300D+00  0.826243D+00  0.165463D+01  0.248658D+01
      3  -0.700070D+00  0.569023D+01  0.318882D+00 -0.131415D+02  0.449269D+00
      4  -0.648802D+01 -0.390212D+01  0.134186D+00  0.144419D+01  0.253471D+01
      5   0.372176D+01 -0.171726D+01 -0.135659D+01 -0.300620D+01 -0.134631D+01
      6  -0.273431D+01  0.799638D+00 -0.251314D+01 -0.429181D+01 -0.796947D+00
               131           132           133           134           135 
      1  -0.191917D+01 -0.344644D+00  0.116599D+02 -0.857120D+00 -0.206148D+02
      2   0.160552D+01  0.202321D+01 -0.106900D+01  0.144678D+01 -0.885534D+01
      3   0.313652D+00 -0.167857D+01 -0.105909D+02 -0.589655D+00  0.294701D+02
      4   0.246265D+01  0.191467D+01  0.277341D+01  0.267763D+01 -0.294754D+01
      5   0.146434D+01 -0.178210D+01  0.262898D+01  0.815034D-01  0.112403D+02
      6   0.933865D+00  0.390774D+01 -0.167814D+01  0.465279D+01  0.670118D+01
               136           137           138           139           140 
      1   0.516148D+02 -0.137659D+02  0.102159D+02 -0.226053D+02  0.104012D+02
      2  -0.302313D+02  0.915355D+01 -0.817453D+01  0.133086D+02 -0.335722D+01
      3  -0.213835D+02  0.461238D+01 -0.204141D+01  0.929661D+01 -0.704400D+01
      4  -0.865776D+01  0.118620D+02 -0.184036D+01  0.126049D+02 -0.800997D+01
      5   0.204649D+02 -0.539444D+01  0.121292D+02 -0.102933D+02  0.503000D+01
      6  -0.339225D+01  0.432254D+01 -0.109012D+01  0.426589D+01 -0.315428D+01
               141           142           143           144           145 
      1  -0.458723D+01  0.650250D+01 -0.183788D+01  0.387547D+01  0.962170D+01
      2   0.465049D+01 -0.607833D+01  0.257697D+01 -0.580549D+01 -0.115493D+01
      3  -0.632614D-01 -0.424166D+00 -0.739086D+00  0.193002D+01 -0.846677D+01
      4   0.295007D+01 -0.134184D+01  0.794269D+00 -0.338706D+01  0.110554D+02
      5  -0.763306D+01  0.110321D+02 -0.466502D+01  0.652631D+01  0.386740D+01
      6   0.182339D+01 -0.174376D+01  0.217256D+01 -0.508778D+00  0.164059D+01
               146           147           148           149           150 
      1   0.482280D+01  0.179509D+01  0.691144D+01 -0.243336D+01 -0.123830D+01
      2   0.254775D+01 -0.564602D+00  0.471626D+01  0.258765D+02  0.448217D+00
      3  -0.737056D+01 -0.123049D+01 -0.116277D+02 -0.234431D+02  0.790081D+00
      4   0.164430D+02  0.968417D+00  0.226251D+02  0.414517D+02  0.460436D+01
      5   0.165010D+01  0.268713D+01  0.452596D+01  0.508965D+01  0.679403D+01
      6   0.357827D+01  0.118397D+01  0.528231D+01  0.128219D+02  0.721344D+01
               151           152           153 
      1  -0.618468D+00 -0.113385D+01 -0.290992D+01
      2   0.755573D-01 -0.159690D+01  0.196719D+01
      3   0.542911D+00  0.273075D+01  0.942731D+00
      4  -0.103785D+01 -0.901893D+00  0.377674D+01
      5   0.261843D+01  0.460790D+01  0.613841D+00
      6   0.168247D+01  0.635010D+01  0.100078D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:17:38 2021, MaxMem= 10737418240 cpu:            6909.5 elap:             432.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14037 -10.27447 -10.20010 -10.19281 -10.19202
 Alpha  occ. eigenvalues --  -10.19128 -10.18407  -1.05279  -0.85597  -0.75247
 Alpha  occ. eigenvalues --   -0.72050  -0.66756  -0.57395  -0.54020  -0.49851
 Alpha  occ. eigenvalues --   -0.47794  -0.45073  -0.42886  -0.42069  -0.40910
 Alpha  occ. eigenvalues --   -0.40126  -0.38384  -0.35538  -0.34420  -0.33949
 Alpha  occ. eigenvalues --   -0.33580  -0.24795
 Alpha virt. eigenvalues --   -0.03115  -0.01646   0.00499   0.00561   0.00948
 Alpha virt. eigenvalues --    0.02907   0.03015   0.03142   0.03726   0.04490
 Alpha virt. eigenvalues --    0.06347   0.06691   0.06945   0.08231   0.08641
 Alpha virt. eigenvalues --    0.08882   0.09404   0.09717   0.10234   0.10536
 Alpha virt. eigenvalues --    0.10817   0.11522   0.11591   0.12072   0.12637
 Alpha virt. eigenvalues --    0.13359   0.13639   0.14290   0.14818   0.15132
 Alpha virt. eigenvalues --    0.15354   0.16740   0.17417   0.17761   0.18087
 Alpha virt. eigenvalues --    0.18927   0.19640   0.20775   0.22160   0.22423
 Alpha virt. eigenvalues --    0.23296   0.24622   0.25782   0.26093   0.26738
 Alpha virt. eigenvalues --    0.27198   0.27875   0.28615   0.29714   0.30673
 Alpha virt. eigenvalues --    0.30910   0.32283   0.32724   0.33709   0.33951
 Alpha virt. eigenvalues --    0.34485   0.34788   0.35757   0.35992   0.36599
 Alpha virt. eigenvalues --    0.37865   0.38004   0.38615   0.39135   0.40107
 Alpha virt. eigenvalues --    0.40873   0.41554   0.42712   0.43527   0.44371
 Alpha virt. eigenvalues --    0.45207   0.46145   0.46634   0.47753   0.48727
 Alpha virt. eigenvalues --    0.49185   0.50474   0.51238   0.51859   0.52622
 Alpha virt. eigenvalues --    0.53736   0.54579   0.55914   0.57050   0.57698
 Alpha virt. eigenvalues --    0.58019   0.58550   0.59373   0.61384   0.62260
 Alpha virt. eigenvalues --    0.63225   0.64080   0.64363   0.65590   0.66005
 Alpha virt. eigenvalues --    0.67192   0.67607   0.67965   0.69513   0.70014
 Alpha virt. eigenvalues --    0.70181   0.71844   0.73059   0.73765   0.75177
 Alpha virt. eigenvalues --    0.75573   0.76808   0.77202   0.77984   0.79976
 Alpha virt. eigenvalues --    0.81410   0.82476   0.84382   0.86165   0.88249
 Alpha virt. eigenvalues --    0.89073   0.90032   0.92586   0.93632   0.95338
 Alpha virt. eigenvalues --    0.96955   0.98487   1.00421   1.02540   1.03818
 Alpha virt. eigenvalues --    1.06244   1.07137   1.10968   1.13155   1.13868
 Alpha virt. eigenvalues --    1.15094   1.15479   1.17465   1.20010   1.20488
 Alpha virt. eigenvalues --    1.20792   1.22696   1.27238   1.29298   1.34469
 Alpha virt. eigenvalues --    1.35608   1.38093   1.40473   1.43334   1.46153
 Alpha virt. eigenvalues --    1.46838   1.48553   1.51218   1.54829   1.56947
 Alpha virt. eigenvalues --    1.57341   1.59064   1.60480   1.63392   1.63868
 Alpha virt. eigenvalues --    1.66292   1.66981   1.67765   1.69897   1.71948
 Alpha virt. eigenvalues --    1.72762   1.75771   1.77097   1.78017   1.81811
 Alpha virt. eigenvalues --    1.82854   1.83509   1.85235   1.86451   1.88134
 Alpha virt. eigenvalues --    1.89693   1.90900   1.91751   1.95529   1.98270
 Alpha virt. eigenvalues --    1.99590   2.00798   2.02278   2.05282   2.06239
 Alpha virt. eigenvalues --    2.08150   2.11044   2.12260   2.12942   2.15351
 Alpha virt. eigenvalues --    2.17432   2.20479   2.22023   2.24310   2.27021
 Alpha virt. eigenvalues --    2.28555   2.29184   2.31488   2.34682   2.38130
 Alpha virt. eigenvalues --    2.41043   2.42359   2.42725   2.44946   2.50407
 Alpha virt. eigenvalues --    2.52752   2.53757   2.55404   2.57044   2.60737
 Alpha virt. eigenvalues --    2.63166   2.63461   2.67949   2.76181   2.79106
 Alpha virt. eigenvalues --    2.81743   2.83598   2.89027   2.97369   3.01622
 Alpha virt. eigenvalues --    3.11027   3.13272   3.34037   3.43487   3.44582
 Alpha virt. eigenvalues --    3.47955   3.58276   3.73026   3.87490
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.003371  -0.306570  -0.225513  -0.733286   0.068933   0.013774
     2  C   -0.306570   6.870350  -0.270696  -0.366436  -0.055534   0.042002
     3  C   -0.225513  -0.270696   6.334696  -0.638733  -0.221584   0.022527
     4  C   -0.733286  -0.366436  -0.638733   9.625088  -0.748687   0.018807
     5  C    0.068933  -0.055534  -0.221584  -0.748687   6.328596  -0.024308
     6  O    0.013774   0.042002   0.022527   0.018807  -0.024308   8.476401
     7  H   -0.210464   0.042479   0.000824   0.071808   0.070380  -0.001967
     8  H   -0.243174   0.033856   0.074249   0.004637   0.127525   0.010342
     9  H    0.058142  -0.194709  -0.074114   0.515822  -0.169537   0.032465
    10  H    0.116397   0.166018  -0.408151  -0.435875   0.119335  -0.012739
    11  H    0.113052   0.021110   0.399716  -1.850878   0.326886   0.001893
    12  C    0.131104  -0.030331  -0.083519   0.044951  -0.157433   0.000061
    13  H   -0.012130   0.072318  -0.147085   0.430558  -0.480561  -0.012684
    14  H    0.411158  -0.090130   0.181778  -0.297813  -0.555722   0.009577
    15  H    0.026094  -0.090760  -0.096782   0.147347  -0.143901   0.010887
    16  H    0.067222  -0.009131  -0.074209   0.044996   0.049067  -0.000685
    17  H   -0.056298   0.105424   0.088612   0.030530  -0.014047  -0.006458
               7          8          9         10         11         12
     1  C   -0.210464  -0.243174   0.058142   0.116397   0.113052   0.131104
     2  C    0.042479   0.033856  -0.194709   0.166018   0.021110  -0.030331
     3  C    0.000824   0.074249  -0.074114  -0.408151   0.399716  -0.083519
     4  C    0.071808   0.004637   0.515822  -0.435875  -1.850878   0.044951
     5  C    0.070380   0.127525  -0.169537   0.119335   0.326886  -0.157433
     6  O   -0.001967   0.010342   0.032465  -0.012739   0.001893   0.000061
     7  H    1.926952  -0.418956  -0.003606  -0.001062  -0.016662   0.021118
     8  H   -0.418956   1.978470  -0.012583   0.010249   0.031592  -0.031116
     9  H   -0.003606  -0.012583   1.829167  -0.458852  -0.204299  -0.003719
    10  H   -0.001062   0.010249  -0.458852   2.322256   0.041001   0.025108
    11  H   -0.016662   0.031592  -0.204299   0.041001   2.903214   0.093328
    12  C    0.021118  -0.031116  -0.003719   0.025108   0.093328   4.518056
    13  H    0.167177  -0.247937   0.001386   0.021540  -0.214254   0.038669
    14  H   -0.294814   0.061694   0.025197  -0.005535   0.045158  -0.010391
    15  H   -0.012263   0.006655   0.004118  -0.049737   0.128728   0.209338
    16  H    0.009371   0.000262  -0.013642   0.043609  -0.085447   0.119455
    17  H   -0.001890  -0.002857   0.029317  -0.056352  -0.083687   0.095214
              13         14         15         16         17
     1  C   -0.012130   0.411158   0.026094   0.067222  -0.056298
     2  C    0.072318  -0.090130  -0.090760  -0.009131   0.105424
     3  C   -0.147085   0.181778  -0.096782  -0.074209   0.088612
     4  C    0.430558  -0.297813   0.147347   0.044996   0.030530
     5  C   -0.480561  -0.555722  -0.143901   0.049067  -0.014047
     6  O   -0.012684   0.009577   0.010887  -0.000685  -0.006458
     7  H    0.167177  -0.294814  -0.012263   0.009371  -0.001890
     8  H   -0.247937   0.061694   0.006655   0.000262  -0.002857
     9  H    0.001386   0.025197   0.004118  -0.013642   0.029317
    10  H    0.021540  -0.005535  -0.049737   0.043609  -0.056352
    11  H   -0.214254   0.045158   0.128728  -0.085447  -0.083687
    12  C    0.038669  -0.010391   0.209338   0.119455   0.095214
    13  H    2.530141  -0.658081  -0.011189   0.041704  -0.010228
    14  H   -0.658081   2.709446  -0.031473  -0.057889   0.033805
    15  H   -0.011189  -0.031473   1.937750  -0.424313  -0.394920
    16  H    0.041704  -0.057889  -0.424313   2.091567  -0.466793
    17  H   -0.010228   0.033805  -0.394920  -0.466793   2.029931
 Mulliken charges:
               1
     1  C    0.778186
     2  C    0.060741
     3  C    1.137984
     4  C    0.137163
     5  C    1.480591
     6  O   -0.579895
     7  H   -0.348422
     8  H   -0.382907
     9  H   -0.360553
    10  H   -0.437209
    11  H   -0.650448
    12  C    1.020106
    13  H   -0.509345
    14  H   -0.475966
    15  H   -0.215576
    16  H   -0.335144
    17  H   -0.319306
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.046857
     2  C    0.060741
     3  C    0.340222
     4  C   -0.513286
     5  C    0.495280
     6  O   -0.579895
    12  C    0.150080
 Electronic spatial extent (au):  <R**2>=            754.2168
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0371    Y=              1.0008    Z=              0.8122  Tot=              3.2993
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.7301   YY=            -43.1794   ZZ=            -42.6591
   XY=              2.9591   XZ=              1.7810   YZ=             -0.6452
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5405   YY=              3.0101   ZZ=              3.5304
   XY=              2.9591   XZ=              1.7810   YZ=             -0.6452
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.6131  YYY=             -2.0706  ZZZ=              0.8869  XYY=              1.2805
  XXY=              7.3708  XXZ=              4.9322  XZZ=              3.1022  YZZ=              0.1563
  YYZ=             -0.0535  XYZ=             -0.1499
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -620.5766 YYYY=           -288.9528 ZZZZ=           -157.4284 XXXY=             10.6527
 XXXZ=              8.1834 YYYX=              2.6028 YYYZ=              1.0914 ZZZX=             -4.0370
 ZZZY=             -1.4377 XXYY=           -143.9834 XXZZ=           -123.1246 YYZZ=            -76.6700
 XXYZ=             -2.5525 YYXZ=              0.7480 ZZXY=             -2.0444
 N-N= 3.097775682425D+02 E-N=-1.340073843226D+03  KE= 3.080226172184D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:17:39 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.16023980D+00 3.83638416D-01 3.11601665D-01
 Polarizability= 7.65775188D+01-6.64074882D-01 7.04326567D+01
                -1.24347565D+00-1.39431419D+00 6.23398858D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7995    0.7996       -0.4634   -0.4624
 2     -0.7995   -0.7996        0.9464    0.9462       -3.3400   -3.3386
 3      0.4634    0.4624        8.0330    8.0323       -0.9465   -0.9462
 4     -0.9464   -0.9462        0.0000    0.0000        0.4622    0.4624
 5     -4.6930   -4.6936       -0.4622   -0.4624        0.7996    0.7996
 6      0.9465    0.9462       -0.7996   -0.7996       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.3987   -2.3987       -1.3873   -1.3873
 2     -2.8386   -2.8386        0.0000    0.0000       -1.3873   -1.3873
 3     -2.8386   -2.8386       -2.3987   -2.3987        0.0000    0.0000
 4     -2.3987   -2.3987        2.8386    2.8386      -10.0158  -10.0158
 5      1.3873    1.3873       24.0968   24.0968       -2.8386   -2.8386
 6    -14.0809  -14.0809       -1.3873   -1.3873        2.3987    2.3987
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0289    0.0000       -3.1811   -3.1982        1.8719    1.8497
 2      3.1877    3.1982       -3.8317   -3.7848       13.3757   13.3544
 3     -1.8315   -1.8497      -32.1098  -32.1290        3.7549    3.7848
 4      3.7794    3.7848       -0.0159    0.0000       -1.8399   -1.8497
 5     18.7683   18.7746        1.8687    1.8497       -3.2029   -3.1982
 6     -3.7963   -3.7848        3.1765    3.1982       -0.0164    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0251    0.0000        3.5990    3.6107       10.0973   10.1632
 2     -3.6536   -3.6107       -5.0690   -4.9947       14.5501   14.5567
 3    -10.1650  -10.1632        0.1312    0.1684        5.0172    4.9947
 4      5.0336    4.9947       -0.0023    0.0000      -10.1483  -10.1632
 5    -14.7091  -14.7251       10.1660   10.1632        3.6913    3.6107
 6     -5.0041   -4.9947       -3.6105   -3.6107        0.0332    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.7303    1.7526       14.1710   14.2097      -25.4953  -25.5781
 2     11.1544   11.1641       18.7485   18.7926      -25.5325  -25.5781
 3     11.1395   11.1641       14.1615   14.2097      -36.8414  -36.9180
 4     -4.6026   -4.5829       -9.4567   -9.4116       23.4462   23.4133
 5    -11.3441  -11.3399        8.7170    8.7367        9.4910    9.4116
 6    -32.0934  -32.1500       11.2493   11.3399        4.6498    4.5829
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.9892   -0.0007    0.0003    0.0005    3.4494    4.9981
 Low frequencies ---   73.8145  173.4091  235.9158
 Diagonal vibrational polarizability:
        6.1916488       7.5430927      17.3727184
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     73.8086               173.4075               235.9153
 Red. masses --      3.3753                 2.0610                 1.0418
 Frc consts  --      0.0108                 0.0365                 0.0342
 IR Inten    --      4.6450                 0.6364                 0.1012
 RamAct Fr= 1--      1.2077                 0.7400                 0.0533
  Dep-P Fr= 1--      0.7416                 0.6478                 0.6822
  Dep-U Fr= 1--      0.8517                 0.7862                 0.8111
 Alpha2 Fr= 1--      0.0002                 0.0014                 0.0001
 Beta2  Fr= 1--      0.1714                 0.0970                 0.0072
 AlphaG Fr= 1--      0.0007                -0.0019                 0.0007
 Gamma2 Fr= 1--      0.1599                -0.0310                 0.0079
 Delta2 Fr= 1--     -0.1390                 0.0799                 0.0051
 Raman1 Fr= 1--       4.831                  2.960                  0.213
 ROA1   Fr= 1--      10.902                 -0.417                  0.924
 CID1   Fr= 1--       2.257                 -0.141                  4.334
 Raman2 Fr= 1--       2.057                  1.164                  0.086
 ROA2   Fr= 1--       4.950                 -1.382                  0.149
 CID2   Fr= 1--       2.406                 -1.188                  1.727
 Raman3 Fr= 1--       4.114                  2.327                  0.173
 ROA3   Fr= 1--      10.902                 -0.417                  0.924
 CID3   Fr= 1--       2.650                 -0.179                  5.343
 RC180  Fr= 1--       0.703                  0.572                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06  -0.13     0.12   0.07   0.14    -0.01  -0.02  -0.02
     2   6     0.04   0.00  -0.02     0.04   0.01   0.02     0.00  -0.01   0.00
     3   6    -0.01  -0.08  -0.17     0.00  -0.00  -0.07     0.01   0.01   0.02
     4   6     0.01  -0.01  -0.00     0.00   0.00  -0.03     0.00  -0.00   0.00
     5   6     0.05  -0.03  -0.01    -0.03   0.02  -0.12    -0.00  -0.00  -0.01
     6   8     0.14   0.10   0.22     0.02  -0.02  -0.02    -0.00  -0.02   0.01
     7   1    -0.16  -0.22  -0.13     0.38   0.27   0.12    -0.01  -0.04  -0.02
     8   1    -0.03   0.01  -0.32     0.08  -0.00   0.43    -0.01  -0.01  -0.04
     9   1     0.01  -0.33  -0.18    -0.01  -0.08  -0.06    -0.00   0.06   0.03
    10   1    -0.05  -0.02  -0.38    -0.00   0.02  -0.13     0.02  -0.00   0.07
    11   1     0.11  -0.01   0.08     0.07   0.05   0.03     0.00  -0.02  -0.00
    12   6    -0.19   0.07   0.08    -0.13  -0.08   0.08     0.00   0.03  -0.01
    13   1     0.16  -0.05  -0.02    -0.27   0.16  -0.14    -0.00   0.02  -0.02
    14   1     0.02   0.01   0.08     0.02  -0.08  -0.34    -0.01  -0.01  -0.02
    15   1    -0.31   0.07  -0.00    -0.26  -0.05  -0.01    -0.19   0.58  -0.08
    16   1    -0.19   0.12   0.23    -0.20  -0.16   0.19    -0.29  -0.32   0.31
    17   1    -0.24   0.08   0.09    -0.04  -0.10   0.15     0.48  -0.12  -0.27
                      4                      5                      6
                      A                      A                      A
 Frequencies --    350.5216               367.8091               460.1283
 Red. masses --      2.0769                 1.9011                 2.4824
 Frc consts  --      0.1503                 0.1515                 0.3097
 IR Inten    --      0.8386                 0.6952                 2.8322
 RamAct Fr= 1--      0.7472                 0.9059                 0.7395
  Dep-P Fr= 1--      0.6198                 0.1803                 0.7416
  Dep-U Fr= 1--      0.7653                 0.3055                 0.8517
 Alpha2 Fr= 1--      0.0018                 0.0130                 0.0001
 Beta2  Fr= 1--      0.0953                 0.0461                 0.1050
 AlphaG Fr= 1--     -0.0102                 0.0128                -0.0004
 Gamma2 Fr= 1--     -0.1686                -0.0068                 1.6015
 Delta2 Fr= 1--     -0.0799                 0.0412                 0.1376
 Raman1 Fr= 1--       2.989                  3.623                  2.958
 ROA1   Fr= 1--     -18.745                  0.663                158.150
 CID1   Fr= 1--      -6.272                  0.183                 53.462
 Raman2 Fr= 1--       1.144                  0.553                  1.260
 ROA2   Fr= 1--      -3.408                 -0.493                 37.336
 CID2   Fr= 1--      -2.980                 -0.891                 29.639
 Raman3 Fr= 1--       2.287                  1.107                  2.519
 ROA3   Fr= 1--     -18.745                  0.663                158.150
 CID3   Fr= 1--      -8.195                  0.599                 62.774
 RC180  Fr= 1--       0.531                 -0.389                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01    -0.04  -0.03  -0.01     0.03  -0.08   0.04
     2   6     0.06  -0.01   0.04    -0.03  -0.03   0.01     0.07   0.03   0.24
     3   6     0.08   0.01   0.12    -0.00  -0.09  -0.03    -0.04  -0.06   0.06
     4   6     0.01  -0.09  -0.02     0.03  -0.00   0.13    -0.01   0.05  -0.05
     5   6    -0.06  -0.09  -0.07    -0.08   0.02  -0.10     0.05   0.04  -0.01
     6   8     0.05   0.03  -0.05    -0.02   0.02  -0.01    -0.02   0.09  -0.15
     7   1     0.05  -0.08   0.00     0.06  -0.02  -0.02    -0.07  -0.56   0.02
     8   1    -0.07  -0.01   0.04    -0.04  -0.05   0.05    -0.01   0.09  -0.36
     9   1    -0.00   0.30   0.15     0.09  -0.40  -0.06    -0.27  -0.42   0.12
    10   1     0.20  -0.08   0.38    -0.11  -0.00  -0.30    -0.06   0.04  -0.27
    11   1     0.01  -0.11  -0.02     0.03   0.00   0.13    -0.05   0.10  -0.07
    12   6    -0.10   0.15  -0.04     0.13   0.10   0.06    -0.03  -0.03  -0.03
    13   1    -0.16   0.02  -0.09    -0.23   0.34  -0.20     0.03   0.02  -0.00
    14   1    -0.07  -0.19  -0.18    -0.12  -0.22  -0.36     0.11   0.09  -0.04
    15   1    -0.14   0.13  -0.07     0.26   0.18   0.17    -0.08  -0.05  -0.07
    16   1     0.05   0.42   0.11     0.19   0.16  -0.01    -0.08  -0.10  -0.02
    17   1    -0.39   0.22  -0.19     0.10   0.10  -0.10     0.04  -0.04   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    476.2593               584.2538               671.7618
 Red. masses --      3.3336                 3.3245                 2.5949
 Frc consts  --      0.4455                 0.6686                 0.6899
 IR Inten    --      5.2865                 4.3026                 3.0134
 RamAct Fr= 1--      1.6526                 3.4006                 2.4617
  Dep-P Fr= 1--      0.7498                 0.2117                 0.0935
  Dep-U Fr= 1--      0.8570                 0.3494                 0.1711
 Alpha2 Fr= 1--      0.0000                 0.0448                 0.0438
 Beta2  Fr= 1--      0.2361                 0.1980                 0.0702
 AlphaG Fr= 1--     -0.0004                -0.1488                -0.0699
 Gamma2 Fr= 1--     -1.5958                -0.8022                 0.4496
 Delta2 Fr= 1--     -0.0024                 0.1005                 0.0842
 Raman1 Fr= 1--       6.610                 13.602                  9.847
 ROA1   Fr= 1--    -153.278                -73.800                 45.859
 CID1   Fr= 1--     -23.187                 -5.426                  4.657
 Raman2 Fr= 1--       2.833                  2.376                  0.842
 ROA2   Fr= 1--     -38.280                -20.057                 10.117
 CID2   Fr= 1--     -13.514                 -8.441                 12.011
 Raman3 Fr= 1--       5.665                  4.753                  1.685
 ROA3   Fr= 1--    -153.278                -73.800                 45.859
 CID3   Fr= 1--     -27.056                -15.528                 27.222
 RC180  Fr= 1--       0.714                 -0.301                 -0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.15   0.03    -0.08  -0.08   0.13    -0.03  -0.03   0.09
     2   6    -0.09  -0.16  -0.12     0.15  -0.10  -0.07    -0.14  -0.07  -0.02
     3   6    -0.13  -0.08   0.06    -0.02   0.07  -0.09     0.09  -0.08  -0.04
     4   6    -0.07   0.06   0.02    -0.08   0.11   0.01     0.20   0.01  -0.12
     5   6     0.08   0.01  -0.01    -0.16   0.10   0.10     0.01   0.14   0.04
     6   8     0.08   0.25  -0.03     0.20  -0.08  -0.04    -0.10   0.04   0.05
     7   1     0.20   0.17   0.03    -0.37  -0.30   0.14    -0.27  -0.20   0.10
     8   1     0.24  -0.41   0.30    -0.11   0.07  -0.25     0.18  -0.12  -0.22
     9   1    -0.02   0.20   0.04     0.04   0.26  -0.10     0.14   0.20  -0.04
    10   1    -0.31  -0.17   0.37    -0.20  -0.01   0.16     0.10  -0.15   0.19
    11   1    -0.12   0.15   0.00    -0.04  -0.06   0.02     0.17  -0.09  -0.16
    12   6     0.01  -0.02   0.01    -0.00  -0.00  -0.01     0.02  -0.00  -0.02
    13   1     0.11  -0.00  -0.01    -0.37   0.26   0.07    -0.25   0.27   0.03
    14   1     0.16   0.09  -0.02    -0.04   0.03  -0.19     0.02  -0.05  -0.21
    15   1     0.06   0.01   0.05     0.08  -0.08   0.04    -0.27  -0.15  -0.25
    16   1    -0.04  -0.11  -0.08    -0.04  -0.12  -0.17    -0.01   0.02   0.24
    17   1     0.11  -0.04   0.03     0.10  -0.02   0.11    -0.04   0.03   0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    737.4651               795.4766               814.7672
 Red. masses --      2.2570                 2.7881                 2.3470
 Frc consts  --      0.7232                 1.0395                 0.9180
 IR Inten    --      2.5172                 2.9635                 1.4469
 RamAct Fr= 1--      4.6259                16.7372                 1.3478
  Dep-P Fr= 1--      0.0663                 0.0408                 0.6815
  Dep-U Fr= 1--      0.1244                 0.0784                 0.8106
 Alpha2 Fr= 1--      0.0879                 0.3379                 0.0016
 Beta2  Fr= 1--      0.0959                 0.2186                 0.1821
 AlphaG Fr= 1--      0.0954                 0.2530                -0.0109
 Gamma2 Fr= 1--      0.5682                 0.1516                 0.0873
 Delta2 Fr= 1--      0.5143                -0.1846                 0.0436
 Raman1 Fr= 1--      18.504                 66.949                  5.391
 ROA1   Fr= 1--      71.007                  8.641                  9.777
 CID1   Fr= 1--       3.837                  0.129                  1.814
 Raman2 Fr= 1--       1.151                  2.623                  2.185
 ROA2   Fr= 1--       9.524                  5.115                  1.746
 CID2   Fr= 1--       8.274                  1.950                  0.799
 Raman3 Fr= 1--       2.302                  5.246                  4.370
 ROA3   Fr= 1--      71.007                  8.641                  9.777
 CID3   Fr= 1--      30.843                  1.647                  2.237
 RC180  Fr= 1--      -0.751                 -0.843                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.07  -0.08     0.08   0.12  -0.04     0.03   0.21   0.00
     2   6     0.05  -0.09  -0.01     0.00   0.01  -0.07     0.04  -0.01  -0.01
     3   6     0.02  -0.10   0.16     0.04  -0.11   0.11    -0.18  -0.14  -0.00
     4   6     0.08   0.07  -0.07    -0.08  -0.10   0.13     0.04  -0.04  -0.04
     5   6    -0.08   0.08   0.01     0.06   0.16   0.07     0.05  -0.06  -0.02
     6   8     0.09  -0.03  -0.01     0.02  -0.01   0.01     0.03  -0.00  -0.01
     7   1     0.04   0.46  -0.06    -0.21   0.09  -0.01    -0.22  -0.08   0.01
     8   1    -0.11  -0.07   0.30     0.25   0.05  -0.27    -0.11   0.44  -0.29
     9   1    -0.10  -0.42   0.18     0.19  -0.20   0.07    -0.24   0.25   0.02
    10   1    -0.17  -0.01  -0.12     0.10  -0.08  -0.01    -0.28  -0.26   0.37
    11   1    -0.04   0.09  -0.16    -0.11  -0.06   0.12    -0.01   0.11  -0.05
    12   6     0.00   0.01  -0.03    -0.12  -0.08  -0.14     0.06   0.02   0.07
    13   1     0.08  -0.06   0.04    -0.13   0.43  -0.01    -0.12  -0.04  -0.01
    14   1    -0.20   0.11   0.23     0.09  -0.01  -0.21    -0.06  -0.22  -0.06
    15   1    -0.22  -0.10  -0.20     0.05   0.06   0.01     0.01   0.02   0.04
    16   1    -0.05  -0.01   0.14    -0.06  -0.02  -0.24     0.05   0.04   0.14
    17   1    -0.02   0.02   0.17    -0.15  -0.09  -0.41     0.05   0.03   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.6733               935.6361               964.9773
 Red. masses --      1.7807                 2.0418                 1.4120
 Frc consts  --      0.8248                 1.0531                 0.7747
 IR Inten    --      4.8935                 1.8505                 0.5300
 RamAct Fr= 1--      2.6021                 4.0414                 0.7230
  Dep-P Fr= 1--      0.1546                 0.5265                 0.3873
  Dep-U Fr= 1--      0.2678                 0.6898                 0.5584
 Alpha2 Fr= 1--      0.0398                 0.0175                 0.0056
 Beta2  Fr= 1--      0.1162                 0.4646                 0.0673
 AlphaG Fr= 1--     -0.0752                 0.0433                 0.0478
 Gamma2 Fr= 1--      0.1983                -0.2850                 0.2247
 Delta2 Fr= 1--      0.3913                -1.1927                -0.7272
 Raman1 Fr= 1--      10.409                 16.166                  2.892
 ROA1   Fr= 1--      31.562                -65.532                 -1.698
 CID1   Fr= 1--       3.032                 -4.054                 -0.587
 Raman2 Fr= 1--       1.394                  5.575                  0.807
 ROA2   Fr= 1--       1.629                  2.701                 11.211
 CID2   Fr= 1--       1.169                  0.484                 13.885
 Raman3 Fr= 1--       2.788                 11.151                  1.615
 ROA3   Fr= 1--      31.562                -65.532                 -1.698
 CID3   Fr= 1--      11.322                 -5.877                 -1.051
 RC180  Fr= 1--      -0.464                  0.380                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.01    -0.10   0.02   0.08    -0.01   0.01   0.10
     2   6     0.01  -0.05   0.10    -0.01   0.02  -0.03    -0.02  -0.03  -0.07
     3   6     0.06  -0.12  -0.09     0.11  -0.09   0.02     0.01   0.03   0.04
     4   6    -0.03  -0.02  -0.00    -0.03   0.13   0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.14  -0.07     0.10  -0.12  -0.06    -0.01   0.02  -0.10
     6   8    -0.01  -0.00  -0.01    -0.02  -0.01   0.02     0.01  -0.00   0.01
     7   1     0.30  -0.12  -0.06    -0.19   0.03   0.09    -0.12  -0.19   0.10
     8   1    -0.10   0.05   0.10    -0.31   0.21   0.07    -0.06   0.14  -0.13
     9   1     0.02   0.30  -0.07     0.30  -0.00  -0.03     0.33  -0.14  -0.04
    10   1     0.21  -0.24   0.29     0.18  -0.11   0.06    -0.24   0.08  -0.08
    11   1     0.14  -0.04   0.13    -0.04   0.44   0.05    -0.03   0.23  -0.00
    12   6    -0.02  -0.00   0.04    -0.07   0.05  -0.05     0.02  -0.07   0.02
    13   1     0.30  -0.11  -0.02     0.03  -0.05  -0.07     0.04  -0.36   0.04
    14   1    -0.12   0.35   0.31     0.17  -0.10  -0.14     0.13   0.33   0.11
    15   1     0.20   0.09   0.21     0.09  -0.08   0.05    -0.03   0.18   0.01
    16   1     0.02  -0.01  -0.17    -0.18  -0.22  -0.39     0.17   0.22   0.25
    17   1     0.04  -0.03  -0.14     0.21  -0.01   0.14    -0.23  -0.02  -0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0028              1009.1492              1041.5521
 Red. masses --      2.0132                 1.5815                 1.4190
 Frc consts  --      1.1885                 0.9489                 0.9070
 IR Inten    --      0.5174                 1.6717                 7.6697
 RamAct Fr= 1--      4.3819                 5.0386                 2.1464
  Dep-P Fr= 1--      0.3072                 0.7063                 0.2912
  Dep-U Fr= 1--      0.4700                 0.8279                 0.4510
 Alpha2 Fr= 1--      0.0440                 0.0038                 0.0226
 Beta2  Fr= 1--      0.3433                 0.6952                 0.1613
 AlphaG Fr= 1--     -0.0994                -0.0544                -0.0133
 Gamma2 Fr= 1--      0.5776                -0.3785                -0.3498
 Delta2 Fr= 1--      0.8273                -1.7163                 0.0377
 Raman1 Fr= 1--      17.527                 20.154                  8.586
 ROA1   Fr= 1--      81.925                -91.262                -32.377
 CID1   Fr= 1--       4.674                 -4.528                 -3.771
 Raman2 Fr= 1--       4.119                  8.342                  1.936
 ROA2   Fr= 1--       7.244                  4.645                 -8.698
 CID2   Fr= 1--       1.759                  0.557                 -4.493
 Raman3 Fr= 1--       8.238                 16.685                  3.872
 ROA3   Fr= 1--      81.925                -91.262                -32.377
 CID3   Fr= 1--       9.945                 -5.470                 -8.361
 RC180  Fr= 1--      -0.060                  0.656                 -0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18   0.04  -0.03    -0.00  -0.01  -0.00     0.03   0.03  -0.01
     2   6    -0.03  -0.00  -0.05    -0.00   0.02  -0.04    -0.02  -0.07   0.02
     3   6     0.07  -0.06   0.05     0.04  -0.04   0.04     0.01   0.05   0.01
     4   6    -0.07   0.06  -0.00    -0.10  -0.04  -0.12     0.11   0.05  -0.03
     5   6    -0.17  -0.05   0.02     0.00   0.03  -0.01    -0.04  -0.04   0.01
     6   8    -0.01   0.01   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.00
     7   1     0.21  -0.30  -0.06    -0.33   0.23   0.06    -0.11   0.04   0.01
     8   1     0.29   0.03  -0.27     0.21  -0.17  -0.09     0.24  -0.13  -0.11
     9   1     0.35  -0.09  -0.03    -0.31  -0.08   0.12    -0.20  -0.05   0.06
    10   1     0.04  -0.04  -0.01     0.44   0.00  -0.11    -0.15   0.06  -0.03
    11   1    -0.24   0.06  -0.14    -0.08   0.05  -0.10     0.42   0.17   0.23
    12   6     0.02   0.07   0.00     0.03   0.04   0.13    -0.09  -0.02   0.01
    13   1    -0.15  -0.26   0.10    -0.26  -0.18   0.10    -0.21  -0.19   0.09
    14   1    -0.29  -0.02   0.23     0.25   0.22  -0.15    -0.22  -0.18   0.10
    15   1    -0.07  -0.11  -0.08     0.18   0.09   0.24     0.25   0.12   0.26
    16   1    -0.09  -0.11  -0.03     0.05   0.03  -0.01    -0.01  -0.01  -0.35
    17   1     0.13   0.05   0.30     0.09   0.01   0.04     0.05  -0.08  -0.29
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1125.4793              1158.7767              1177.7807
 Red. masses --      1.4776                 4.1228                 1.3714
 Frc consts  --      1.1028                 3.2617                 1.1209
 IR Inten    --      1.1767                68.8361                 2.7027
 RamAct Fr= 1--      3.0326                 1.9086                 2.7618
  Dep-P Fr= 1--      0.6231                 0.7492                 0.6012
  Dep-U Fr= 1--      0.7678                 0.8566                 0.7509
 Alpha2 Fr= 1--      0.0070                 0.0000                 0.0076
 Beta2  Fr= 1--      0.3880                 0.2725                 0.3457
 AlphaG Fr= 1--      0.0275                 0.0020                 0.0427
 Gamma2 Fr= 1--      0.6544                 0.6569                -0.6816
 Delta2 Fr= 1--     -0.2454                 0.0207                -1.5022
 Raman1 Fr= 1--      12.130                  7.634                 11.047
 ROA1   Fr= 1--      54.968                 63.720               -113.502
 CID1   Fr= 1--       4.531                  8.347                -10.274
 Raman2 Fr= 1--       4.657                  3.270                  4.148
 ROA2   Fr= 1--      17.669                 15.600                 -4.341
 CID2   Fr= 1--       3.794                  4.771                 -1.046
 Raman3 Fr= 1--       9.313                  6.539                  8.296
 ROA3   Fr= 1--      54.968                 63.720               -113.502
 CID3   Fr= 1--       5.902                  9.744                -13.682
 RC180  Fr= 1--       0.536                  0.713                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.06    -0.02  -0.17   0.06    -0.04   0.03   0.09
     2   6     0.02   0.01   0.08     0.08   0.37  -0.19    -0.03  -0.06  -0.06
     3   6    -0.00  -0.04  -0.07    -0.08  -0.15   0.06    -0.05   0.05   0.01
     4   6    -0.04   0.09   0.00     0.13   0.00  -0.01    -0.00  -0.05   0.01
     5   6     0.01  -0.02   0.07    -0.08   0.05   0.04     0.04   0.04  -0.04
     6   8    -0.00  -0.00  -0.01    -0.01  -0.06   0.03     0.04  -0.00   0.00
     7   1    -0.01   0.15  -0.05     0.34  -0.25   0.00     0.08  -0.24   0.05
     8   1     0.12  -0.18   0.06     0.06  -0.24   0.06     0.10  -0.05  -0.07
     9   1     0.16   0.15  -0.10    -0.32   0.05   0.12    -0.19  -0.01   0.04
    10   1     0.23  -0.08   0.06    -0.09  -0.17   0.14     0.53   0.11  -0.21
    11   1    -0.23   0.54  -0.08     0.09   0.45   0.03    -0.12   0.28  -0.03
    12   6     0.04  -0.09   0.00    -0.04  -0.02  -0.00     0.01   0.01  -0.01
    13   1    -0.20   0.04   0.07     0.10   0.06   0.01     0.24   0.10  -0.10
    14   1    -0.14  -0.25  -0.01    -0.09   0.07   0.08    -0.43  -0.30   0.23
    15   1    -0.08   0.16  -0.05     0.06   0.04   0.07    -0.02  -0.03  -0.02
    16   1     0.16   0.19   0.27     0.01   0.01  -0.12    -0.02  -0.02   0.01
    17   1    -0.23  -0.02  -0.25     0.01  -0.04  -0.17     0.02   0.01   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1207.7679              1232.0784              1271.6531
 Red. masses --      1.5472                 1.5780                 1.5963
 Frc consts  --      1.3297                 1.4114                 1.5209
 IR Inten    --      0.2948                 1.2052                 2.3007
 RamAct Fr= 1--      1.7708                 2.3012                 2.1859
  Dep-P Fr= 1--      0.4768                 0.6527                 0.7445
  Dep-U Fr= 1--      0.6457                 0.7898                 0.8535
 Alpha2 Fr= 1--      0.0097                 0.0040                 0.0002
 Beta2  Fr= 1--      0.1906                 0.3029                 0.3110
 AlphaG Fr= 1--     -0.0146                 0.0166                -0.0051
 Gamma2 Fr= 1--      1.3730                 0.9275                -2.0025
 Delta2 Fr= 1--      0.5593                 0.2336                -0.4497
 Raman1 Fr= 1--       7.083                  9.205                  8.744
 ROA1   Fr= 1--     149.702                 96.515               -206.637
 CID1   Fr= 1--      21.135                 10.485                -23.633
 Raman2 Fr= 1--       2.287                  3.635                  3.732
 ROA2   Fr= 1--      28.477                 20.391                -44.463
 CID2   Fr= 1--      12.453                  5.609                -11.915
 Raman3 Fr= 1--       4.574                  7.270                  7.463
 ROA3   Fr= 1--     149.702                 96.515               -206.637
 CID3   Fr= 1--      32.732                 13.275                -27.688
 RC180  Fr= 1--       0.291                  0.580                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.02    -0.08   0.01  -0.01    -0.07   0.08   0.04
     2   6     0.04   0.05   0.07     0.03   0.02   0.04    -0.00   0.02  -0.02
     3   6    -0.04  -0.00  -0.04    -0.04   0.03   0.03     0.16  -0.00  -0.03
     4   6     0.01  -0.06   0.11     0.01  -0.11  -0.11    -0.08   0.04  -0.02
     5   6    -0.00   0.00  -0.11     0.07   0.04   0.03     0.03  -0.05  -0.01
     6   8     0.01  -0.02  -0.01     0.01  -0.01  -0.01    -0.01  -0.01   0.01
     7   1    -0.37   0.23   0.08     0.20  -0.11  -0.05     0.09  -0.19   0.01
     8   1     0.49  -0.43  -0.10     0.13  -0.20   0.05     0.35  -0.27  -0.07
     9   1     0.10   0.08  -0.07     0.64  -0.02  -0.15    -0.40  -0.07   0.11
    10   1    -0.09  -0.04   0.10    -0.31   0.05  -0.01    -0.50  -0.05   0.14
    11   1     0.04   0.10   0.15    -0.20   0.05  -0.26    -0.17  -0.14  -0.11
    12   6     0.02   0.05  -0.06    -0.05   0.04   0.06     0.02  -0.02   0.02
    13   1    -0.02  -0.28   0.01    -0.07   0.04   0.04     0.26   0.21  -0.15
    14   1    -0.03   0.12   0.09    -0.09  -0.19  -0.03    -0.06  -0.14   0.01
    15   1    -0.11  -0.16  -0.18     0.19   0.00   0.23    -0.01   0.08   0.02
    16   1    -0.10  -0.12   0.02    -0.04  -0.04  -0.16     0.05   0.04   0.06
    17   1     0.05   0.05   0.19     0.16  -0.02   0.02    -0.08   0.00  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1298.8588              1325.6269              1351.7081
 Red. masses --      1.2581                 1.5699                 1.4864
 Frc consts  --      1.2505                 1.6254                 1.6001
 IR Inten    --      3.2683                 1.3102                 2.2691
 RamAct Fr= 1--      4.0335                 2.3771                 1.2865
  Dep-P Fr= 1--      0.6342                 0.7126                 0.6780
  Dep-U Fr= 1--      0.7762                 0.8322                 0.8081
 Alpha2 Fr= 1--      0.0085                 0.0015                 0.0016
 Beta2  Fr= 1--      0.5218                 0.3297                 0.1733
 AlphaG Fr= 1--     -0.0409                 0.0131                -0.0033
 Gamma2 Fr= 1--      3.0664                 3.0870                -1.2575
 Delta2 Fr= 1--      0.6531                 2.2973                -0.7218
 Raman1 Fr= 1--      16.134                  9.508                  5.146
 ROA1   Fr= 1--     315.276                369.860               -143.816
 CID1   Fr= 1--      19.541                 38.899                -27.948
 Raman2 Fr= 1--       6.261                  3.956                  2.079
 ROA2   Fr= 1--      68.369                 55.709                -24.406
 CID2   Fr= 1--      10.919                 14.081                -11.738
 Raman3 Fr= 1--      12.523                  7.913                  4.158
 ROA3   Fr= 1--     315.276                369.860               -143.816
 CID3   Fr= 1--      25.176                 46.742                -34.584
 RC180  Fr= 1--       0.552                  0.664                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.08  -0.03     0.05  -0.07  -0.02     0.02   0.04  -0.01
     2   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.00    -0.01  -0.05   0.03
     3   6    -0.00   0.01  -0.00     0.11   0.04  -0.05     0.00   0.03  -0.02
     4   6    -0.01  -0.02   0.03    -0.01  -0.12   0.03     0.07  -0.09  -0.00
     5   6     0.02  -0.01   0.04     0.04   0.09  -0.00    -0.12  -0.07   0.06
     6   8     0.02  -0.00   0.00    -0.02   0.01   0.01     0.00   0.01  -0.01
     7   1     0.52  -0.37  -0.14    -0.03   0.12   0.00    -0.06   0.04  -0.00
     8   1     0.09  -0.11   0.03    -0.31   0.24   0.05     0.08   0.00  -0.04
     9   1    -0.12  -0.02   0.03    -0.32  -0.07   0.06    -0.05   0.03  -0.01
    10   1     0.09   0.02  -0.02    -0.38  -0.01   0.12    -0.02   0.04  -0.03
    11   1     0.16   0.19   0.20    -0.22   0.48  -0.03    -0.18   0.54  -0.11
    12   6     0.02   0.01  -0.03     0.01   0.04  -0.00    -0.03   0.02  -0.01
    13   1    -0.39  -0.19   0.17    -0.28  -0.18   0.15     0.39   0.36  -0.18
    14   1     0.32   0.16  -0.18    -0.19  -0.11   0.08     0.35   0.34  -0.13
    15   1    -0.06  -0.06  -0.10    -0.02  -0.13  -0.05     0.09  -0.05   0.07
    16   1    -0.03  -0.04   0.05    -0.09  -0.11  -0.01    -0.02   0.01   0.00
    17   1    -0.01   0.03   0.08     0.02   0.03   0.03     0.11  -0.02   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1379.5282              1417.5538              1450.2102
 Red. masses --      1.3990                 1.2423                 1.0847
 Frc consts  --      1.5687                 1.4708                 1.3441
 IR Inten    --      2.2093                 6.3178                18.4319
 RamAct Fr= 1--      2.2514                 0.2161                 2.2058
  Dep-P Fr= 1--      0.6816                 0.7500                 0.7383
  Dep-U Fr= 1--      0.8107                 0.8571                 0.8494
 Alpha2 Fr= 1--      0.0027                 0.0000                 0.0004
 Beta2  Fr= 1--      0.3042                 0.0309                 0.3123
 AlphaG Fr= 1--     -0.0187                 0.0001                 0.0118
 Gamma2 Fr= 1--     -0.1414                 0.0703                 0.1527
 Delta2 Fr= 1--     -0.0627                -0.1428                 0.5333
 Raman1 Fr= 1--       9.005                  0.864                  8.823
 ROA1   Fr= 1--     -15.575                  2.183                 31.729
 CID1   Fr= 1--      -1.730                  2.526                  3.596
 Raman2 Fr= 1--       3.650                  0.370                  3.747
 ROA2   Fr= 1--      -2.891                  2.830                 -0.601
 CID2   Fr= 1--      -0.792                  7.641                 -0.160
 Raman3 Fr= 1--       7.300                  0.741                  7.495
 ROA3   Fr= 1--     -15.575                  2.183                 31.729
 CID3   Fr= 1--      -2.133                  2.947                  4.234
 RC180  Fr= 1--       0.621                  0.714                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.02   0.01
     2   6     0.00   0.01   0.00    -0.00   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.01  -0.00   0.03     0.00   0.01  -0.01     0.02  -0.06   0.04
     4   6    -0.12  -0.05  -0.11     0.02   0.01   0.03    -0.00  -0.01   0.01
     5   6    -0.01   0.00   0.03     0.01   0.01  -0.01     0.01  -0.00  -0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.03   0.08   0.02     0.06   0.05  -0.00     0.16   0.20  -0.00
     8   1    -0.01   0.03  -0.05    -0.01   0.02  -0.08     0.02   0.06  -0.24
     9   1     0.18  -0.10  -0.02    -0.06  -0.10   0.01    -0.04   0.64   0.04
    10   1    -0.12  -0.01   0.04     0.02  -0.04   0.11    -0.20   0.17  -0.60
    11   1     0.60   0.26   0.51    -0.09  -0.06  -0.06    -0.01   0.01   0.01
    12   6     0.05   0.01  -0.04    -0.07  -0.04  -0.11     0.00  -0.00  -0.02
    13   1     0.16   0.23  -0.08    -0.09  -0.06   0.03    -0.05   0.02   0.00
    14   1    -0.10  -0.09   0.04    -0.03   0.00   0.04    -0.00   0.02   0.04
    15   1     0.02   0.02  -0.04     0.42   0.20   0.30     0.05   0.07   0.03
    16   1     0.00   0.01   0.23     0.10   0.34   0.42    -0.02  -0.03   0.03
    17   1    -0.03   0.05   0.21     0.25  -0.08   0.49    -0.06   0.02   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1455.8960              1497.5749              1500.7747
 Red. masses --      1.0839                 1.0578                 1.0574
 Frc consts  --      1.3536                 1.3977                 1.4033
 IR Inten    --      4.0481                 6.7821                 1.4609
 RamAct Fr= 1--      9.1215                 5.1353                 5.6634
  Dep-P Fr= 1--      0.6584                 0.7369                 0.7266
  Dep-U Fr= 1--      0.7940                 0.8485                 0.8417
 Alpha2 Fr= 1--      0.0149                 0.0011                 0.0023
 Beta2  Fr= 1--      1.2071                 0.7262                 0.7944
 AlphaG Fr= 1--      0.0629                -0.0049                -0.0055
 Gamma2 Fr= 1--     -1.2003                 0.2739                -0.2694
 Delta2 Fr= 1--      1.0833                -0.0675                -1.4129
 Raman1 Fr= 1--      36.486                 20.541                 22.654
 ROA1   Fr= 1--     -80.567                 24.133                -71.070
 CID1   Fr= 1--      -2.208                  1.175                 -3.137
 Raman2 Fr= 1--      14.485                  8.715                  9.533
 ROA2   Fr= 1--     -37.474                  7.113                  4.839
 CID2   Fr= 1--      -2.587                  0.816                  0.508
 Raman3 Fr= 1--      28.969                 17.430                 19.067
 ROA3   Fr= 1--     -80.567                 24.133                -71.070
 CID3   Fr= 1--      -2.781                  1.385                 -3.727
 RC180  Fr= 1--       0.588                  0.697                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.05     0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.01  -0.02   0.02    -0.00  -0.01   0.00    -0.00   0.01  -0.00
     4   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00     0.02  -0.02   0.00
     5   6     0.01   0.00  -0.01    -0.02   0.03   0.02    -0.02   0.03   0.01
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.43  -0.47  -0.00    -0.04  -0.05  -0.00    -0.07  -0.07  -0.00
     8   1    -0.05  -0.15   0.63     0.00  -0.01   0.06    -0.01  -0.02   0.09
     9   1    -0.02   0.22   0.02    -0.01   0.03   0.00     0.00  -0.02  -0.00
    10   1    -0.08   0.06  -0.22     0.02   0.00  -0.03    -0.00   0.00   0.02
    11   1     0.02   0.02   0.03    -0.01  -0.04  -0.03    -0.03   0.04  -0.03
    12   6    -0.01  -0.00  -0.02     0.01   0.03  -0.03     0.03  -0.04  -0.01
    13   1    -0.11   0.08  -0.02     0.26  -0.25   0.07     0.16  -0.17   0.05
    14   1    -0.04   0.06   0.12     0.02  -0.19  -0.31     0.03  -0.10  -0.20
    15   1     0.06  -0.01   0.03     0.36  -0.26   0.21    -0.05   0.62   0.03
    16   1     0.02   0.06   0.08    -0.30  -0.33   0.39    -0.03  -0.18  -0.31
    17   1     0.07  -0.02   0.05    -0.28   0.09  -0.19    -0.40   0.12   0.42
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1508.0082              1814.6054              3025.7798
 Red. masses --      1.0740                12.5848                 1.0479
 Frc consts  --      1.4391                24.4152                 5.6524
 IR Inten    --      5.9995               258.7535                27.5647
 RamAct Fr= 1--      1.9790                21.0838                38.5762
  Dep-P Fr= 1--      0.5968                 0.6147                 0.3908
  Dep-U Fr= 1--      0.7475                 0.7614                 0.5620
 Alpha2 Fr= 1--      0.0056                 0.0523                 0.2952
 Beta2  Fr= 1--      0.2466                 2.6754                 3.6133
 AlphaG Fr= 1--     -0.0047                 0.3623                 0.3113
 Gamma2 Fr= 1--     -0.3528                 4.8833                 1.6708
 Delta2 Fr= 1--      0.2367                 0.7958                 0.2890
 Raman1 Fr= 1--       7.916                 84.335                154.305
 ROA1   Fr= 1--     -26.291                494.261                169.640
 CID1   Fr= 1--      -3.321                  5.861                  1.099
 Raman2 Fr= 1--       2.959                 32.105                 43.360
 ROA2   Fr= 1--     -10.360                110.833                 37.786
 CID2   Fr= 1--      -3.502                  3.452                  0.871
 Raman3 Fr= 1--       5.917                 64.211                 86.720
 ROA3   Fr= 1--     -26.291                494.261                169.640
 CID3   Fr= 1--      -4.443                  7.697                  1.956
 RC180  Fr= 1--       0.495                  0.523                  0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.01   0.01     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.00     0.75  -0.26  -0.20     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00    -0.04   0.01   0.01    -0.01   0.01  -0.04
     4   6     0.02   0.00  -0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
     5   6     0.03  -0.05  -0.02    -0.02   0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.49   0.17   0.13    -0.00   0.00   0.00
     7   1     0.03   0.03  -0.00     0.03  -0.04   0.00    -0.01   0.01  -0.10
     8   1    -0.00   0.00  -0.04     0.10  -0.09  -0.01     0.01   0.01   0.01
     9   1     0.02  -0.10  -0.01     0.01   0.00  -0.01     0.13   0.00   0.52
    10   1     0.04  -0.02   0.09     0.15   0.02  -0.06    -0.01  -0.16  -0.07
    11   1    -0.04  -0.03  -0.07    -0.02  -0.00   0.02     0.11   0.02  -0.14
    12   6     0.03   0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.04
    13   1    -0.36   0.37  -0.11     0.03  -0.00   0.00     0.01   0.03   0.08
    14   1    -0.01   0.28   0.44    -0.02   0.02  -0.00    -0.03   0.02  -0.02
    15   1     0.20   0.08   0.14    -0.01  -0.02  -0.01    -0.33  -0.06   0.43
    16   1    -0.23  -0.34   0.09     0.00   0.01   0.02     0.34  -0.23   0.05
    17   1    -0.39   0.12   0.01     0.01  -0.00  -0.01     0.11   0.38  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3028.0990              3039.1426              3046.6239
 Red. masses --      1.0572                 1.0685                 1.0652
 Frc consts  --      5.7113                 5.8149                 5.8255
 IR Inten    --      5.0903                13.8120                13.2455
 RamAct Fr= 1--    191.2685               124.1009                93.4482
  Dep-P Fr= 1--      0.0370                 0.1650                 0.1229
  Dep-U Fr= 1--      0.0714                 0.2832                 0.2188
 Alpha2 Fr= 1--      3.8965                 1.8466                 1.5465
 Beta2  Fr= 1--      2.2749                 5.8576                 3.4083
 AlphaG Fr= 1--     -1.2460                -0.9917                -1.0010
 Gamma2 Fr= 1--     11.2825                -5.7962                -3.9557
 Delta2 Fr= 1--     -2.0615                 0.8379                -2.7811
 Raman1 Fr= 1--     765.074                496.403                373.793
 ROA1   Fr= 1--    1017.150               -529.626               -468.746
 CID1   Fr= 1--       1.329                 -1.067                 -1.254
 Raman2 Fr= 1--      27.299                 70.291                 40.899
 ROA2   Fr= 1--     287.271               -145.812                -72.689
 CID2   Fr= 1--      10.523                 -2.074                 -1.777
 Raman3 Fr= 1--      54.597                140.582                 81.799
 ROA3   Fr= 1--    1017.150               -529.626               -468.746
 CID3   Fr= 1--      18.630                 -3.767                 -5.730
 RC180  Fr= 1--      -0.857                 -0.434                 -0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.02     0.01   0.02  -0.06
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.02  -0.00   0.02    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.01  -0.04  -0.05     0.01  -0.02  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1     0.01  -0.01   0.08    -0.03   0.02  -0.22     0.12  -0.05   0.88
     8   1    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00    -0.22  -0.24  -0.11
     9   1     0.19  -0.00   0.73    -0.02  -0.00  -0.07    -0.00   0.00  -0.02
    10   1    -0.01  -0.20  -0.08     0.00   0.03   0.01    -0.00  -0.01  -0.00
    11   1     0.08   0.02  -0.10     0.23   0.04  -0.29     0.02   0.00  -0.02
    12   6     0.01   0.01   0.03     0.01   0.00   0.00    -0.01  -0.00  -0.00
    13   1    -0.01  -0.02  -0.06     0.12   0.28   0.75     0.02   0.05   0.14
    14   1     0.02  -0.02   0.02    -0.23   0.18  -0.17    -0.16   0.14  -0.11
    15   1     0.23   0.04  -0.30     0.02   0.00  -0.03    -0.01  -0.00   0.01
    16   1    -0.27   0.18  -0.04    -0.10   0.07  -0.02     0.08  -0.05   0.01
    17   1    -0.08  -0.30   0.03    -0.03  -0.13   0.01     0.02   0.07  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3057.0778              3087.3755              3088.0415
 Red. masses --      1.0835                 1.0983                 1.0990
 Frc consts  --      5.9664                 6.1680                 6.1746
 IR Inten    --     24.2966                13.0036                52.9738
 RamAct Fr= 1--    238.1201                72.7035                58.4302
  Dep-P Fr= 1--      0.1594                 0.2875                 0.2163
  Dep-U Fr= 1--      0.2750                 0.4466                 0.3557
 Alpha2 Fr= 1--      3.5936                 0.7739                 0.7597
 Beta2  Fr= 1--     10.9154                 5.4111                 3.4636
 AlphaG Fr= 1--      1.2053                 0.6166                 0.5887
 Gamma2 Fr= 1--     12.7720                19.8505                 0.8222
 Delta2 Fr= 1--      6.6836                12.6569                 1.0897
 Raman1 Fr= 1--     952.480                290.814                233.721
 ROA1   Fr= 1--    1439.988               2310.663                113.804
 CID1   Fr= 1--       1.512                  7.946                  0.487
 Raman2 Fr= 1--     130.984                 64.934                 41.563
 ROA2   Fr= 1--     253.059                375.156                 11.016
 CID2   Fr= 1--       1.932                  5.778                  0.265
 Raman3 Fr= 1--     261.968                129.867                 83.126
 ROA3   Fr= 1--    1439.988               2310.663                113.804
 CID3   Fr= 1--       5.497                 17.792                  1.369
 RC180  Fr= 1--      -0.450                 -0.107                 -0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02   0.02   0.00     0.00   0.01   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01  -0.01     0.00   0.01   0.00    -0.00   0.00  -0.00
     4   6     0.04   0.01  -0.05     0.00   0.00  -0.00     0.02   0.00  -0.02
     5   6     0.01  -0.02  -0.02    -0.05   0.03  -0.06     0.01  -0.01   0.00
     6   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   1    -0.01   0.01  -0.11     0.01   0.00   0.05     0.00   0.00   0.01
     8   1    -0.01  -0.01  -0.00    -0.21  -0.23  -0.09    -0.06  -0.07  -0.03
     9   1     0.05  -0.00   0.19    -0.00   0.00  -0.02     0.01  -0.00   0.03
    10   1     0.00  -0.06  -0.02    -0.00  -0.08  -0.03     0.00  -0.02  -0.01
    11   1    -0.51  -0.10   0.64    -0.03  -0.01   0.04    -0.20  -0.04   0.26
    12   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.07   0.03  -0.04
    13   1     0.05   0.12   0.32     0.04   0.13   0.32     0.00  -0.00  -0.00
    14   1    -0.12   0.10  -0.09     0.56  -0.48   0.37    -0.08   0.07  -0.05
    15   1     0.14   0.03  -0.19    -0.04  -0.01   0.06    -0.41  -0.07   0.55
    16   1     0.12  -0.09   0.02    -0.18   0.12  -0.03    -0.30   0.22  -0.07
    17   1     0.03   0.15  -0.01     0.05   0.16  -0.01    -0.12  -0.47   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3094.0581              3100.3022              3102.9851
 Red. masses --      1.1014                 1.0945                 1.0981
 Frc consts  --      6.2123                 6.1983                 6.2293
 IR Inten    --     30.2300                17.0876                13.8814
 RamAct Fr= 1--     93.5236                97.9559               124.1972
  Dep-P Fr= 1--      0.5799                 0.4629                 0.4566
  Dep-U Fr= 1--      0.7341                 0.6329                 0.6270
 Alpha2 Fr= 1--      0.2983                 0.5695                 0.7411
 Beta2  Fr= 1--     11.4431                10.3325                12.9781
 AlphaG Fr= 1--      0.6975                 0.7736                 0.9201
 Gamma2 Fr= 1--    -11.6252                 0.4939               -25.8042
 Delta2 Fr= 1--     -7.8366                 7.6321               -13.6567
 Raman1 Fr= 1--     374.094                391.824                496.789
 ROA1   Fr= 1--   -1366.791                291.641              -2914.215
 CID1   Fr= 1--      -3.654                  0.744                 -5.866
 Raman2 Fr= 1--     137.318                123.990                155.738
 ROA2   Fr= 1--    -216.312                -49.203               -510.046
 CID2   Fr= 1--      -1.575                 -0.397                 -3.275
 Raman3 Fr= 1--     274.635                247.980                311.475
 ROA3   Fr= 1--   -1366.791                291.641              -2914.215
 CID3   Fr= 1--      -4.977                  1.176                 -9.356
 RC180  Fr= 1--       0.468                  0.266                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.05
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.02   0.01    -0.01  -0.07  -0.04    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.03
     6   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   1     0.00  -0.00   0.02     0.00  -0.00   0.03     0.04  -0.04   0.34
     8   1     0.08   0.09   0.03     0.02   0.03   0.01     0.56   0.62   0.23
     9   1    -0.01   0.00  -0.05     0.06  -0.02   0.25     0.00   0.00   0.00
    10   1    -0.01  -0.19  -0.06     0.01   0.89   0.29    -0.00  -0.05  -0.01
    11   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02    -0.03  -0.01   0.04
    12   6     0.03  -0.08   0.01     0.01  -0.02   0.00     0.00   0.01  -0.01
    13   1    -0.01  -0.03  -0.08     0.00   0.01   0.02     0.03   0.08   0.21
    14   1    -0.17   0.15  -0.11     0.02  -0.01   0.01     0.15  -0.13   0.10
    15   1    -0.02  -0.02   0.04    -0.02  -0.01   0.03    -0.04  -0.01   0.06
    16   1    -0.56   0.36  -0.10    -0.13   0.09  -0.02     0.01  -0.00   0.00
    17   1     0.18   0.60  -0.04     0.04   0.14  -0.01    -0.02  -0.08   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   407.55100 818.49953 979.10228
           X            0.99920   0.03498   0.01957
           Y           -0.03481   0.99936  -0.00855
           Z           -0.01986   0.00787   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21252     0.10582     0.08846
 Rotational constants (GHZ):           4.42826     2.20494     1.84326
 Zero-point vibrational energy     391322.0 (Joules/Mol)
                                   93.52821 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    106.19   249.49   339.43   504.32   529.20
          (Kelvin)            662.02   685.23   840.61   966.52  1061.05
                             1144.51  1172.27  1275.73  1346.17  1388.39
                             1440.22  1451.94  1498.56  1619.31  1667.22
                             1694.56  1737.71  1772.69  1829.63  1868.77
                             1907.28  1944.81  1984.83  2039.54  2086.53
                             2094.71  2154.68  2159.28  2169.69  2610.81
                             4353.42  4356.76  4372.65  4383.41  4398.45
                             4442.04  4443.00  4451.66  4460.64  4464.50
 
 Zero-point correction=                           0.149047 (Hartree/Particle)
 Thermal correction to Energy=                    0.155949
 Thermal correction to Enthalpy=                  0.156893
 Thermal correction to Gibbs Free Energy=         0.118158
 Sum of electronic and zero-point Energies=           -309.885082
 Sum of electronic and thermal Energies=              -309.878180
 Sum of electronic and thermal Enthalpies=            -309.877235
 Sum of electronic and thermal Free Energies=         -309.915970
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.859             26.109             81.525
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.282
 Vibrational             96.082             20.148             14.583
 Vibration     1          0.599              1.966              4.049
 Vibration     2          0.627              1.875              2.398
 Vibration     3          0.655              1.786              1.833
 Vibration     4          0.727              1.574              1.164
 Vibration     5          0.740              1.538              1.089
 Vibration     6          0.818              1.338              0.766
 Vibration     7          0.833              1.303              0.720
 Vibration     8          0.941              1.065              0.478
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.447884D-54        -54.348835       -125.142816
 Total V=0       0.161369D+15         14.207820         32.714714
 Vib (Bot)       0.573491D-67        -67.241474       -154.829215
 Vib (Bot)    1  0.279281D+01          0.446041          1.027048
 Vib (Bot)    2  0.116085D+01          0.064775          0.149150
 Vib (Bot)    3  0.832684D+00         -0.079520         -0.183101
 Vib (Bot)    4  0.526178D+00         -0.278867         -0.642115
 Vib (Bot)    5  0.495720D+00         -0.304763         -0.701743
 Vib (Bot)    6  0.369614D+00         -0.432252         -0.995297
 Vib (Bot)    7  0.352291D+00         -0.453098         -1.043297
 Vib (Bot)    8  0.259703D+00         -0.585524         -1.348218
 Vib (V=0)       0.206624D+02          1.315181          3.028316
 Vib (V=0)    1  0.333721D+01          0.523384          1.205137
 Vib (V=0)    2  0.176395D+01          0.246486          0.567555
 Vib (V=0)    3  0.147127D+01          0.167692          0.386125
 Vib (V=0)    4  0.122585D+01          0.088439          0.203637
 Vib (V=0)    5  0.120409D+01          0.080658          0.185722
 Vib (V=0)    6  0.112178D+01          0.049909          0.114920
 Vib (V=0)    7  0.111164D+01          0.045966          0.105840
 Vib (V=0)    8  0.106342D+01          0.026706          0.061493
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.204578D+06          5.310860         12.228707
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016224    0.000001202    0.000001497
      2        6           0.000018832    0.000000088   -0.000012141
      3        6          -0.000004367    0.000006677    0.000011464
      4        6          -0.000023503   -0.000003123   -0.000038861
      5        6          -0.000030882   -0.000017336    0.000016957
      6        8           0.000002542   -0.000000148   -0.000004366
      7        1           0.000003017    0.000006951    0.000001161
      8        1          -0.000000167    0.000000160   -0.000003286
      9        1           0.000000701    0.000004477   -0.000001162
     10        1           0.000002162   -0.000001163    0.000001000
     11        1           0.000002526    0.000000452    0.000001521
     12        6           0.000001922   -0.000007885   -0.000003620
     13        1           0.000001264    0.000003063   -0.000000299
     14        1           0.000000765   -0.000004508    0.000002453
     15        1           0.000006280    0.000008259    0.000018364
     16        1           0.000000289    0.000001524    0.000003994
     17        1           0.000002395    0.000001310    0.000005324
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038861 RMS     0.000010220
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.831213D+02 -0.924863D+00 -0.159910D+01
      2  -0.924863D+00  0.764441D+02 -0.189240D+01
      3  -0.159910D+01 -0.189240D+01  0.670568D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.337604D+01  0.196595D-02 -0.201214D+01
      2  -0.101652D+02 -0.390231D+01 -0.187587D+02
      3   0.562281D+01  0.137639D+02  0.346022D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.213714D+02 -0.176991D+02 -0.268298D+02
      2   0.115620D+02  0.166055D+02  0.100883D+02
      3   0.980942D+01  0.109355D+01  0.167415D+02
      4  -0.858231D+01 -0.298898D+02 -0.953978D+01
      5  -0.230032D+02 -0.709368D+01 -0.410539D+02
      6  -0.279220D+00  0.257491D+01  0.562740D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.268181D-01 -0.248767D+01 -0.122160D+01 -0.194353D+01 -0.385761D+01
      2  -0.248767D+01 -0.556472D+01  0.750628D+00 -0.385761D+01 -0.281222D-01
      3  -0.122160D+01  0.750628D+00  0.364241D+00  0.941055D-01 -0.988541D+00
                 6             7             8             9            10 
      1   0.941055D-01 -0.133676D+01 -0.111383D+01  0.754823D+00 -0.595650D+01
      2  -0.988541D+00 -0.111383D+01 -0.217555D+00 -0.112423D+01  0.436479D+01
      3  -0.331890D+00  0.754823D+00 -0.112423D+01  0.533948D+01  0.103149D+01
                11            12            13            14            15 
      1   0.436479D+01  0.103149D+01  0.315996D+01  0.882559D+00 -0.874935D+00
      2   0.518347D+01 -0.283129D+01  0.882559D+00 -0.344337D+01  0.664805D+00
      3  -0.283129D+01  0.123898D+01 -0.874935D+00  0.664805D+00  0.365637D+00
                16            17            18            19            20 
      1   0.144378D+01 -0.113788D+01 -0.375551D+00  0.119054D+01 -0.301310D+01
      2  -0.113788D+01 -0.116753D+01  0.947196D+00 -0.301310D+01 -0.163208D+01
      3  -0.375551D+00  0.947196D+00 -0.233581D+00  0.117620D+01  0.123785D+01
                21            22            23            24            25 
      1   0.117620D+01 -0.212301D+01 -0.139119D+00  0.281290D+00 -0.115193D+01
      2   0.123785D+01 -0.139119D+00  0.724882D+01  0.125838D+01  0.472157D+00
      3  -0.282749D+01  0.281290D+00  0.125838D+01 -0.359439D+00 -0.197952D+01
                26            27            28            29            30 
      1   0.472157D+00 -0.197952D+01 -0.142219D+01  0.248101D+01 -0.217889D+01
      2   0.262528D+01  0.308752D+00  0.248101D+01 -0.340936D+01  0.118821D+01
      3   0.308752D+00 -0.571325D+01 -0.217889D+01  0.118821D+01  0.436730D+01
                31            32            33            34            35 
      1   0.204391D+01 -0.219865D+01  0.906858D+00 -0.182262D+01  0.759288D+00
      2  -0.219865D+01 -0.527114D+01 -0.959833D+00  0.759288D+00  0.797172D+00
      3   0.906858D+00 -0.959833D+00  0.196130D+01  0.526452D+01  0.215164D+01
                36            37            38            39            40 
      1   0.526452D+01  0.541923D+00 -0.191851D+01  0.252892D+01 -0.681639D+00
      2   0.215164D+01 -0.191851D+01  0.326755D+01 -0.991682D+00  0.371611D+01
      3  -0.358346D+00  0.252892D+01 -0.991682D+00 -0.139521D+01 -0.147502D+01
                41            42            43            44            45 
      1   0.371611D+01 -0.147502D+01  0.277360D+01 -0.227386D+01 -0.105879D+01
      2   0.233098D+01  0.113335D+00 -0.227386D+01 -0.134104D+00 -0.379619D+01
      3   0.113335D+00 -0.229289D+01 -0.105879D+01 -0.379619D+01 -0.515368D+01
                46            47            48            49            50 
      1   0.153091D+02 -0.380557D+01 -0.206969D+01 -0.313300D+01  0.376681D+01
      2  -0.380557D+01  0.745412D+00  0.120527D+01  0.376681D+01 -0.204002D+01
      3  -0.206969D+01  0.120527D+01  0.122441D+01  0.779363D+00 -0.120259D+01
                51            52            53            54            55 
      1   0.779363D+00 -0.213108D+01  0.756808D+00  0.391359D+01 -0.624513D+00
      2  -0.120259D+01  0.756808D+00 -0.241326D+00 -0.160320D+01  0.564346D+00
      3  -0.712590D+00  0.391359D+01 -0.160320D+01 -0.189119D+01 -0.982493D+00
                56            57            58            59            60 
      1   0.564346D+00 -0.982493D+00  0.112347D+00  0.200615D+00  0.133781D+00
      2   0.577848D+00 -0.113979D+00  0.200615D+00  0.877896D+00 -0.978051D+00
      3  -0.113979D+00 -0.353303D+00  0.133781D+00 -0.978051D+00  0.542324D+00
                61            62            63            64            65 
      1  -0.159750D+01  0.285715D+00 -0.572422D-01  0.439308D+01  0.345849D+01
      2   0.285715D+00 -0.224959D+01  0.231736D+01  0.345849D+01  0.466413D+01
      3  -0.572422D-01  0.231736D+01 -0.829816D+01  0.238715D+00 -0.707945D-01
                66            67            68            69            70 
      1   0.238715D+00  0.279053D+01  0.305812D+01  0.100892D+00  0.115248D+01
      2  -0.707945D-01  0.305812D+01  0.607854D+01  0.530961D+00  0.970840D+00
      3   0.659037D+00  0.100892D+00  0.530961D+00  0.888937D+00  0.521237D+00
                71            72            73            74            75 
      1   0.970840D+00  0.521237D+00  0.775807D+00  0.265701D-01  0.140187D+01
      2   0.135437D+01  0.129318D+01  0.265701D-01  0.700206D+00 -0.850363D+00
      3   0.129318D+01 -0.347660D-01  0.140187D+01 -0.850363D+00  0.216654D+01
                76            77            78            79            80 
      1   0.476285D+00  0.983650D-01 -0.100962D+00  0.240348D+01 -0.314419D+00
      2   0.983650D-01 -0.101220D+01  0.115423D+01 -0.314419D+00  0.147247D+01
      3  -0.100962D+00  0.115423D+01 -0.282599D+00  0.155073D+01 -0.192023D+01
                81            82            83            84            85 
      1   0.155073D+01 -0.111386D+00 -0.100941D+01 -0.430276D+00 -0.164135D+01
      2  -0.192023D+01 -0.100941D+01  0.547211D+00 -0.301782D+00 -0.593680D-02
      3   0.968974D+01 -0.430276D+00 -0.301782D+00  0.282434D+00 -0.838834D-01
                86            87            88            89            90 
      1  -0.593680D-02 -0.838834D-01 -0.532202D+00  0.149630D+00  0.602133D-01
      2  -0.965580D+01 -0.333362D+00  0.149630D+00 -0.278959D+01 -0.126524D+01
      3  -0.333362D+00 -0.124171D+01  0.602133D-01 -0.126524D+01  0.258645D+00
                91            92            93            94            95 
      1  -0.504909D+01 -0.101789D+01  0.296315D+01 -0.721894D+00 -0.784279D+00
      2  -0.101789D+01 -0.666389D+00  0.173102D+00 -0.784279D+00 -0.702883D-01
      3   0.296315D+01  0.173102D+00 -0.361645D+01  0.162037D+00  0.101709D+01
                96            97            98            99           100 
      1   0.162037D+00  0.338302D+01  0.433817D+00 -0.371003D+01  0.372071D+01
      2   0.101709D+01  0.433817D+00  0.919166D+00 -0.819476D+00 -0.276909D+01
      3  -0.843536D+00 -0.371003D+01 -0.819476D+00  0.543726D+01  0.197245D+01
               101           102           103           104           105 
      1  -0.276909D+01  0.197245D+01 -0.355682D+01  0.428951D+01 -0.134238D+01
      2   0.300138D+01 -0.116608D+01  0.428951D+01  0.625315D+01  0.816546D+00
      3  -0.116608D+01 -0.378463D+01 -0.134238D+01  0.816546D+00 -0.163400D+01
               106           107           108           109           110 
      1   0.128628D+01 -0.131502D+01 -0.417762D+01  0.466987D+00  0.774235D+00
      2  -0.131502D+01 -0.829384D+00 -0.160814D+01  0.774235D+00  0.322905D-01
      3  -0.417762D+01 -0.160814D+01  0.115087D+01  0.763299D+00  0.373376D+00
               111           112           113           114           115 
      1   0.763299D+00  0.675704D+00 -0.305317D+00  0.383533D-01  0.118266D+01
      2   0.373376D+00 -0.305317D+00  0.225621D+01  0.218165D+01  0.463737D+00
      3   0.778391D+00  0.383533D-01  0.218165D+01  0.237466D+01  0.101888D+00
               116           117           118           119           120 
      1   0.463737D+00  0.101888D+00 -0.478354D+01  0.320247D+01 -0.121822D+01
      2   0.314513D+01  0.381831D+01  0.320247D+01 -0.374803D+01  0.669865D+00
      3   0.381831D+01  0.768747D+01 -0.121822D+01  0.669865D+00 -0.900856D+00
               121           122           123           124           125 
      1   0.251646D+01 -0.291231D+01  0.598469D+00 -0.199251D+01  0.133648D+01
      2  -0.291231D+01  0.430371D+01 -0.778262D+00  0.133648D+01 -0.188746D+01
      3   0.598469D+00 -0.778262D+00  0.117559D+01 -0.106265D+01  0.164335D+01
               126           127           128           129           130 
      1  -0.106265D+01  0.190965D+01  0.552964D+00 -0.136284D+01  0.609888D+00
      2   0.164335D+01  0.552964D+00  0.506194D+00  0.329818D+00 -0.309252D-01
      3  -0.574080D+00 -0.136284D+01  0.329818D+00  0.306683D+01  0.115065D+00
               131           132           133           134           135 
      1  -0.309252D-01  0.115065D+00 -0.196920D+01 -0.872318D-01  0.138403D+01
      2  -0.506383D+00 -0.814733D+00 -0.872318D-01 -0.998101D+00 -0.117353D+00
      3  -0.814733D+00  0.450761D+00  0.138403D+01 -0.117353D+00 -0.606474D+01
               136           137           138           139           140 
      1  -0.816394D+01  0.215286D+01 -0.218455D+01  0.398176D+01 -0.229199D+01
      2   0.215286D+01 -0.204804D+01  0.473531D+00 -0.229199D+01  0.136366D+01
      3  -0.218455D+01  0.473531D+00 -0.127453D+01  0.128650D+01 -0.599905D+00
               141           142           143           144           145 
      1   0.128650D+01 -0.123542D+01  0.507550D+00 -0.104991D+01 -0.216978D+01
      2  -0.599905D+00  0.507550D+00 -0.104211D+00  0.583239D+00 -0.155650D+01
      3   0.132092D+01 -0.104991D+01  0.583239D+00 -0.101230D+01 -0.427525D+00
               146           147           148           149           150 
      1  -0.155650D+01 -0.427525D+00 -0.256561D+01 -0.348596D+01 -0.619528D+00
      2  -0.215709D+01 -0.756795D-01 -0.348596D+01 -0.868565D+01 -0.108172D+01
      3  -0.756795D-01  0.431764D-02 -0.619528D+00 -0.108172D+01 -0.138148D+01
               151           152           153 
      1   0.143934D+00  0.106225D+00 -0.797246D-01
      2   0.106225D+00  0.305261D+00 -0.808979D+00
      3  -0.797246D-01 -0.808979D+00 -0.229374D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.567461D+01  0.480541D+01 -0.213701D+01  0.213017D+01  0.297659D+01
      2  -0.845297D+00 -0.128827D+01  0.994493D+00 -0.192262D+01 -0.370974D+01
      3   0.538862D+01  0.981861D+00 -0.503412D+01  0.666756D+01 -0.530110D+01
                 6             7             8             9            10 
      1  -0.405797D+01 -0.491996D+01  0.560737D+01 -0.814830D+01 -0.367877D+01
      2  -0.104126D+01 -0.345589D+01 -0.299965D+01  0.847000D+01 -0.412117D+01
      3  -0.259404D+00 -0.423286D+01 -0.358049D+01  0.449797D+01  0.879684D+00
                11            12            13            14            15 
      1   0.877733D+01 -0.343530D+01  0.559523D+01  0.601896D+01 -0.192560D+00
      2  -0.894352D+01 -0.423799D+01 -0.485111D+01  0.305417D+00  0.218622D+01
      3  -0.576462D+01  0.515297D+01 -0.407837D+00 -0.520467D-01 -0.160007D+01
                16            17            18            19            20 
      1   0.320471D+01  0.191119D+02 -0.714960D+01 -0.527307D+00 -0.207764D+00
      2  -0.125391D+02 -0.211071D+01  0.654531D+01 -0.455612D+01  0.510486D+01
      3   0.322566D+01 -0.537924D+01 -0.308074D+00 -0.507411D+00  0.479976D+01
                21            22            23            24            25 
      1  -0.519616D+01  0.142295D+01  0.970943D+01 -0.262855D+01 -0.101773D+01
      2   0.903021D+00  0.423933D+01 -0.876029D+00  0.258064D+01 -0.488945D+01
      3  -0.268946D+01  0.888985D+01 -0.631816D+01  0.984261D+00 -0.141517D+01
                26            27            28            29            30 
      1   0.577908D+01 -0.885678D+01  0.167577D+01 -0.198937D+01  0.104539D+01
      2   0.934089D+00 -0.173994D+01  0.904741D+01 -0.218311D+01 -0.218346D+01
      3   0.682674D+00  0.219950D+01  0.558366D+01 -0.949339D+01  0.194877D+01
                31            32            33            34            35 
      1  -0.290411D+01 -0.348037D+01 -0.299296D+01 -0.599006D+00  0.506253D+01
      2  -0.411918D+01  0.127115D+01 -0.236196D+01 -0.942113D+01 -0.447132D+01
      3  -0.333911D+01 -0.762513D+01  0.100476D+00  0.106338D+01  0.118827D+00
                36            37            38            39            40 
      1   0.573505D+00 -0.430643D+01  0.561601D+01  0.223234D+01  0.579727D+01
      2  -0.136650D+00 -0.721723D+01  0.395755D+01  0.177262D+01  0.279905D+01
      3   0.124348D+01 -0.582188D+01 -0.735331D+00  0.328877D+01  0.517345D+01
                41            42            43            44            45 
      1   0.307929D+01  0.212004D+01  0.197889D+01  0.986092D+01  0.509978D+01
      2  -0.245208D+01  0.260088D+01 -0.429696D+01  0.535545D+01  0.445907D+01
      3   0.915584D+01 -0.183856D+01  0.367765D+01 -0.419175D+01 -0.420215D+01
                46            47            48            49            50 
      1   0.169931D+01 -0.531414D+01  0.390487D+01 -0.162759D+01 -0.117743D+00
      2  -0.993460D+00  0.203515D+01  0.121915D+02  0.179359D+01 -0.147600D+01
      3  -0.167240D+01 -0.115212D+02 -0.418069D+00 -0.780002D+00  0.576934D+01
                51            52            53            54            55 
      1  -0.259327D+01 -0.750015D+00 -0.373228D+01  0.152202D+01  0.674176D-01
      2  -0.379140D+01  0.460362D+01  0.900414D-01 -0.606888D+01 -0.200779D+01
      3   0.848958D+00  0.143460D+01  0.405173D+01  0.532642D+00 -0.191289D+01
                56            57            58            59            60 
      1   0.985816D+00  0.918294D+00  0.152357D+01  0.101067D+00 -0.688064D+00
      2   0.219370D+00  0.516854D-01 -0.841037D-01 -0.542903D+00 -0.107690D+00
      3  -0.123358D+01 -0.467570D+00  0.607602D+00  0.886277D+00  0.124367D+00
                61            62            63            64            65 
      1   0.972186D+00 -0.313319D+01  0.152983D+02 -0.178153D+01 -0.621507D+01
      2  -0.340221D+01  0.334578D+01 -0.101956D+02  0.221546D+01  0.250812D+01
      3  -0.282382D+01  0.330392D+01 -0.256115D+01  0.393111D+01 -0.680101D+00
                66            67            68            69            70 
      1  -0.153851D+01 -0.250808D+01 -0.486723D+01 -0.290323D+01 -0.149162D+01
      2   0.244321D+01  0.205132D+01  0.358045D+01  0.155690D+01  0.257378D+00
      3   0.655813D+00  0.480026D+01 -0.344612D-01 -0.442165D+00  0.169181D+01
                71            72            73            74            75 
      1  -0.207829D+01 -0.592529D+00 -0.249346D+00 -0.130294D+01  0.484421D+01
      2   0.191015D+01  0.156817D+00  0.111008D+01 -0.495715D-01 -0.498230D+00
      3  -0.127612D+00 -0.249111D+00 -0.104181D+00 -0.200170D+01 -0.138552D+01
                76            77            78            79            80 
      1  -0.129417D+01  0.211850D+00  0.283497D+00  0.103841D+01 -0.688811D+00
      2  -0.785124D+00  0.818253D-01  0.900575D-02 -0.399239D+01  0.556611D+00
      3   0.412895D+00  0.116832D+00 -0.334729D-01 -0.269845D+01  0.416032D+00
                81            82            83            84            85 
      1   0.129672D+02  0.113988D+00  0.916460D-01 -0.498609D+00 -0.175403D+01
      2   0.724382D+00 -0.102818D+01 -0.188947D+00  0.177449D+01  0.157700D+01
      3  -0.257040D+01  0.503158D+00 -0.170220D+01  0.948204D+00  0.590972D+01
                86            87            88            89            90 
      1  -0.121791D+02 -0.381005D+01 -0.511242D+00 -0.346981D+01 -0.140720D+01
      2   0.255717D+00 -0.726144D+00 -0.279765D+00  0.781663D-01 -0.333540D+00
      3   0.312179D+01 -0.140904D+00  0.202132D+01  0.135063D+01  0.229240D+00
                91            92            93            94            95 
      1  -0.721307D+00 -0.179627D+01 -0.694977D+00 -0.306162D+00  0.158069D+00
      2   0.458526D+00  0.316021D+00  0.476375D+01  0.465151D+00 -0.870375D+00
      3   0.390228D+00 -0.284639D+01 -0.723398D+00  0.598515D+00 -0.467125D-01
                96            97            98            99           100 
      1  -0.350501D+00  0.490477D+00  0.286618D+01 -0.106758D+00  0.521662D+01
      2   0.147896D+01  0.868208D-01  0.917690D+00 -0.564758D+01  0.210422D-01
      3   0.133970D+01 -0.108166D+01  0.294345D+01 -0.152761D+00 -0.989286D+01
               101           102           103           104           105 
      1  -0.494473D+01 -0.281362D+01 -0.735362D+01 -0.726595D+01 -0.476986D+01
      2   0.235880D+00  0.148975D+02  0.277690D+00  0.280648D+01  0.228624D+01
      3   0.780371D+01 -0.454531D+01  0.146707D+02  0.112974D+02  0.250712D+01
               106           107           108           109           110 
      1  -0.167683D+01  0.105373D+00  0.371864D+01  0.279578D+00 -0.778629D+00
      2   0.859341D+01  0.240559D+01 -0.760642D+01 -0.865217D+00 -0.103209D+01
      3  -0.414424D+01  0.271393D+00 -0.581554D+00  0.190859D+01  0.127143D+00
               111           112           113           114           115 
      1  -0.925242D+00 -0.309940D+00 -0.121361D+01 -0.379761D+01 -0.842511D-01
      2   0.373208D-01 -0.144702D+01 -0.145597D+01 -0.198923D+01 -0.331401D+01
      3   0.119003D+01  0.218036D+01  0.586725D+00  0.208596D+01  0.313539D+01
               116           117           118           119           120 
      1  -0.576867D+00 -0.103586D+02  0.263082D+01 -0.198037D+01  0.277814D+01
      2  -0.319907D+01 -0.632270D+01  0.341919D+01 -0.264301D+01  0.338254D+01
      3   0.328459D+01  0.270081D+01 -0.584528D+01 -0.135699D+01 -0.109868D+01
               121           122           123           124           125 
      1  -0.233925D+01  0.276790D+01 -0.389960D+01  0.163828D+01 -0.170030D+01
      2  -0.160758D+01  0.229817D+01 -0.243317D+01  0.106536D+01 -0.256458D+01
      3   0.383755D+01 -0.921094D-01  0.102763D+00 -0.312447D+01 -0.109830D+01
               126           127           128           129           130 
      1   0.216424D+01 -0.250709D+01 -0.178723D+01  0.267564D+01 -0.504800D+00
      2   0.187395D+01  0.734371D+01  0.795741D+00 -0.722334D+01  0.129537D+01
      3   0.155107D+00 -0.906296D+00 -0.522796D+00  0.145925D+01  0.467887D+00
               131           132           133           134           135 
      1  -0.545976D+00  0.307657D+00  0.215424D+01  0.333298D+01 -0.496459D+01
      2   0.187255D+01 -0.821116D+00 -0.891567D+01 -0.377364D+00  0.140870D+02
      3  -0.703030D+00 -0.140472D+01  0.126640D+01 -0.117851D+01 -0.132728D+01
               136           137           138           139           140 
      1  -0.428854D+01  0.351511D+01 -0.715706D+00  0.289192D+01 -0.227458D+01
      2  -0.254732D+01  0.106481D+01  0.372372D+01  0.121726D+01 -0.650804D+00
      3   0.947696D+01 -0.916629D+01  0.259784D+01 -0.595070D+01  0.580294D+01
               141           142           143           144           145 
      1   0.881365D-01 -0.118454D+01  0.166828D+01 -0.130978D+01  0.702214D+00
      2  -0.304276D+01 -0.740499D+00 -0.956643D+00  0.197386D+01 -0.233179D+00
      3  -0.174314D+01  0.226968D+01 -0.119295D+01  0.226510D+01 -0.935423D+00
               146           147           148           149           150 
      1   0.252519D+01 -0.443751D+00  0.234015D+01  0.786786D+01 -0.364312D+01
      2  -0.855399D+00  0.735121D+00 -0.899016D+00 -0.437859D+00  0.361588D+01
      3  -0.490888D+01  0.670089D-01 -0.217771D+01 -0.170266D+02 -0.143075D+01
               151           152           153 
      1   0.294609D+00  0.205947D+00  0.603947D+00
      2  -0.920512D+00  0.154798D+01  0.560482D+00
      3  -0.265205D+00  0.325608D+00 -0.187139D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.218423D+00  0.175204D+01  0.618960D+00 -0.397955D+01 -0.592109D+01
      2  -0.531349D+01 -0.169704D+02  0.827097D+00 -0.777623D+01  0.154424D+01
      3   0.553191D+01  0.152183D+02 -0.144606D+01  0.117558D+02  0.437685D+01
      4  -0.798035D+01 -0.168706D+02 -0.308592D+01 -0.683795D+01 -0.165292D+02
      5   0.434379D+00 -0.220943D+01 -0.100404D+00 -0.185427D+01 -0.175687D+01
      6  -0.415953D+01 -0.315117D+00  0.384272D+01 -0.229230D+01 -0.458700D+01
                 6             7             8             9            10 
      1   0.249820D+01  0.540907D+01 -0.439031D+01  0.114880D+02 -0.410136D+02
      2  -0.402866D+01 -0.334467D+01 -0.687014D+01  0.442498D+01  0.209631D+02
      3   0.153046D+01 -0.206440D+01  0.112604D+02 -0.159129D+02  0.200505D+02
      4  -0.157604D+01 -0.767479D+01  0.980196D-01 -0.372721D+01  0.183460D+02
      5  -0.137552D+01 -0.682515D+00 -0.122289D+01  0.481429D+01  0.951088D+01
      6   0.406985D+01  0.354115D+01 -0.436917D+01  0.169943D+02 -0.444256D+01
                11            12            13            14            15 
      1   0.718925D+01  0.110992D+01  0.155233D+02  0.644536D+00 -0.537599D+01
      2   0.380268D+01 -0.593713D+01 -0.944728D+01 -0.225687D+01  0.217516D+01
      3  -0.109919D+02  0.482721D+01 -0.607601D+01  0.161233D+01  0.320084D+01
      4  -0.922392D+01 -0.309178D+01 -0.228353D+01  0.208525D+01  0.162958D+01
      5  -0.208641D+01 -0.960506D+01 -0.269949D+01  0.229579D+01  0.467129D+01
      6   0.746022D+01  0.277582D+01  0.260539D+01  0.738722D+00 -0.415473D+01
                16            17            18            19            20 
      1   0.105461D+02 -0.457149D+01 -0.711116D+01 -0.207670D+01 -0.371746D+01
      2  -0.515726D+01  0.277850D+01 -0.159764D+01  0.382963D+01  0.217055D+01
      3  -0.538884D+01  0.179299D+01  0.870880D+01 -0.175293D+01  0.154690D+01
      4  -0.199776D+01  0.550848D+01  0.321867D+01  0.858384D+00  0.889754D+00
      5   0.197943D+01  0.137993D+01  0.748264D+01 -0.573958D+01 -0.680390D+00
      6   0.176411D+01  0.644949D+00  0.234476D+00 -0.352375D+01 -0.367981D+01
                21            22            23            24            25 
      1   0.626050D+01  0.477259D+01  0.765067D+01  0.373373D+01  0.107632D+01
      2   0.373170D+01 -0.425696D+01 -0.211925D+02 -0.329022D+01  0.147557D+01
      3  -0.999220D+01 -0.515631D+00  0.135418D+02 -0.443513D+00 -0.255188D+01
      4  -0.135827D+00 -0.583135D+00  0.373249D+01 -0.851145D+00 -0.119435D+01
      5  -0.146464D+00 -0.789850D+00 -0.630589D+00  0.441994D+01  0.369057D+01
      6   0.640722D+01  0.343414D+00 -0.410993D+01  0.406220D+01  0.167262D+01
                26            27            28            29            30 
      1   0.113188D+01  0.203865D+02  0.432678D-01 -0.447963D+01  0.758981D+01
      2  -0.897308D+01  0.512946D+01  0.414568D+01  0.139370D+01 -0.552720D+01
      3   0.784120D+01 -0.255160D+02 -0.418894D+01  0.308593D+01 -0.206261D+01
      4  -0.225819D+01  0.361762D+01 -0.530463D+01  0.310324D+01 -0.189726D+01
      5   0.281851D+01 -0.110285D+02  0.147136D+02  0.928045D+00 -0.198485D+02
      6   0.523682D+00  0.122184D+02  0.230761D+01 -0.207277D+01 -0.516424D+01
                31            32            33            34            35 
      1  -0.841638D+01  0.731001D+01 -0.393867D+01  0.493330D+00 -0.416218D+01
      2   0.575811D+01 -0.338707D+01  0.284747D+01 -0.508818D+01  0.590252D+00
      3   0.265827D+01 -0.392294D+01  0.109120D+01  0.459485D+01  0.357193D+01
      4   0.541260D+01  0.780855D+01  0.111797D+01 -0.631891D+01 -0.364361D+01
      5  -0.147573D+01  0.149308D+01 -0.643943D+01 -0.236237D+02 -0.832525D+01
      6   0.126816D+01 -0.860884D+00 -0.222842D+01 -0.569998D+01 -0.438489D-01
                36            37            38            39            40 
      1  -0.181266D+02 -0.327548D+01  0.267557D+01 -0.697573D+00  0.382549D+01
      2   0.146310D+02 -0.479897D+01  0.940003D+01 -0.130118D+01  0.783220D+01
      3   0.349563D+01  0.807445D+01 -0.120756D+02  0.199875D+01 -0.116577D+02
      4  -0.997857D+01  0.583447D+01 -0.147546D+02  0.849797D+01 -0.117844D+02
      5   0.105731D+02 -0.757235D+01  0.374683D+01  0.142881D+01  0.991499D+00
      6   0.147344D+01  0.552875D+01 -0.460490D+01 -0.391603D+01 -0.432359D+01
                41            42            43            44            45 
      1  -0.571684D+01  0.645049D+01 -0.850252D+00  0.104722D+02  0.158348D+02
      2   0.722041D+01  0.193630D+01 -0.220218D+01  0.349184D+01 -0.583712D+01
      3  -0.150357D+01 -0.838680D+01  0.305244D+01 -0.139641D+02 -0.999768D+01
      4   0.771333D+01 -0.349645D+01  0.139553D+02 -0.194028D+01  0.776961D+01
      5  -0.276924D+01  0.154084D+01  0.342984D+01  0.513118D+01  0.258433D+01
      6   0.128837D+01 -0.103510D+02 -0.618016D+00 -0.123186D+02 -0.209301D+02
                46            47            48            49            50 
      1   0.872843D+02 -0.134247D+02 -0.656794D+01 -0.138577D+02  0.104945D+02
      2  -0.457356D+02  0.275993D+01  0.625064D+01  0.425608D+01 -0.325012D+00
      3  -0.415487D+02  0.106648D+02  0.317294D+00  0.960158D+01 -0.101695D+02
      4  -0.267158D+02  0.221407D+02  0.451210D+01  0.244644D+02 -0.160298D+02
      5  -0.119655D+02  0.306600D+01  0.207665D+02  0.451894D+01 -0.446350D+01
      6   0.788353D+01 -0.450235D+01 -0.517216D+01 -0.473113D+01  0.440616D+01
                51            52            53            54            55 
      1   0.182828D+01 -0.768490D+01  0.212492D+01  0.114208D+02 -0.236358D+01
      2  -0.122360D+01  0.664174D+01  0.192005D+00 -0.109827D+02 -0.712031D+00
      3  -0.604684D+00  0.104316D+01 -0.231693D+01 -0.438171D+00  0.307561D+01
      4  -0.550445D+01  0.585110D+01 -0.527607D+01 -0.780047D+01  0.506753D+00
      5  -0.643235D+01  0.235563D+02 -0.709334D+01 -0.126164D+02 -0.518847D+00
      6   0.688613D+01 -0.614570D+01  0.776841D+01  0.389935D+01 -0.260992D+01
                56            57            58            59            60 
      1   0.874165D+00 -0.148594D+01 -0.931213D-01 -0.516000D+01  0.324624D+01
      2   0.577270D+00  0.506475D+00  0.898882D+00  0.429864D+01 -0.404694D+01
      3  -0.145144D+01  0.979468D+00 -0.805760D+00  0.861359D+00  0.800704D+00
      4   0.502749D+01 -0.243687D+01  0.212290D+01  0.272247D+01 -0.943598D+00
      5  -0.129864D+01  0.523144D+01  0.588222D+00 -0.351304D+00 -0.412702D+00
      6  -0.484061D+00 -0.189640D+01 -0.223696D+00 -0.452076D+01  0.685121D+01
                61            62            63            64            65 
      1  -0.345473D+01  0.971696D+01 -0.205216D+02  0.854936D+01  0.145339D+00
      2   0.159497D+01 -0.294705D+01 -0.883765D+01  0.488348D+01  0.134579D+02
      3   0.185976D+01 -0.676992D+01  0.293593D+02 -0.134328D+02 -0.136033D+02
      4  -0.283550D+01 -0.346662D+01  0.510784D+01  0.218263D+02  0.252600D+02
      5   0.490475D+01  0.229338D+01 -0.833760D+01  0.105550D+01  0.536255D+00
      6  -0.916037D-01  0.126804D+02 -0.253457D+02  0.106123D+01  0.529684D+00
                66            67            68            69            70 
      1   0.297357D+00 -0.682646D+00 -0.923162D+01  0.439202D+00  0.752133D+00
      2   0.130803D+00  0.111121D+02  0.266071D+02  0.152791D+01  0.107987D+01
      3  -0.428160D+00 -0.104295D+02 -0.173755D+02 -0.196711D+01 -0.183200D+01
      4   0.820241D+00  0.173326D+02  0.247719D+02  0.166476D+01  0.509979D+01
      5   0.420743D+01  0.957725D+00  0.255355D+01  0.211537D+01  0.365456D+01
      6   0.299501D+01  0.396313D+00  0.126806D+01  0.521904D+01  0.339160D+01
                71            72            73            74            75 
      1  -0.241800D+00 -0.316105D+01  0.495687D+00  0.257919D+01 -0.421285D+01
      2   0.517557D+01  0.261465D+01 -0.426354D+01 -0.435945D+00 -0.356046D+01
      3  -0.493377D+01  0.546399D+00  0.376785D+01 -0.214325D+01  0.777331D+01
      4   0.494232D+01  0.554986D+01 -0.171358D+01  0.385556D+01 -0.426292D+01
      5   0.441134D+01  0.148966D+01  0.584989D+01 -0.268218D+01  0.103388D+02
      6   0.779637D+01  0.275877D+00 -0.279798D+01  0.337598D+01 -0.575740D+01
                76            77            78            79            80 
      1   0.146491D+00 -0.663988D+01  0.237182D+01 -0.187903D+01  0.742526D+01
      2   0.676596D+00  0.426666D+01 -0.361989D+01 -0.259779D+01 -0.589880D+00
      3  -0.823087D+00  0.237322D+01  0.124808D+01  0.447682D+01 -0.683538D+01
      4   0.135326D+01 -0.388438D+00  0.138335D+01 -0.416712D+01  0.208391D+01
      5   0.235382D+00  0.161934D+01 -0.223703D+00  0.651658D+01 -0.247353D+01
      6   0.143178D+01 -0.388618D+01  0.715387D+01 -0.295232D+01  0.105567D+02
                81            82            83            84            85 
      1  -0.281004D+02  0.128172D+00  0.559752D+00 -0.122659D+01 -0.121453D+01
      2  -0.143731D+02  0.308409D+01 -0.149671D+01  0.738199D+00  0.126857D+01
      3   0.424735D+02 -0.321226D+01  0.936957D+00  0.488387D+00 -0.540354D-01
      4  -0.353840D+01 -0.367986D+00  0.928045D+01  0.434233D+00  0.665625D+01
      5   0.123925D+02 -0.617341D+00 -0.125541D+01  0.210046D+01 -0.391606D+00
      6  -0.215664D+02  0.777037D+00  0.676014D+00 -0.285729D+00  0.551918D+00
                86            87            88            89            90 
      1  -0.254053D+02  0.689909D+00 -0.442149D+00 -0.363899D+01 -0.592676D+01
      2   0.452638D+02  0.190369D+01  0.169415D+00  0.896434D+01  0.365276D+01
      3  -0.198585D+02 -0.259359D+01  0.272734D+00 -0.532535D+01  0.227401D+01
      4  -0.178223D+01  0.106792D-01  0.238329D+01 -0.157280D+01 -0.321032D+00
      5   0.220192D+00 -0.675929D+00  0.872483D+00 -0.191421D+00  0.826842D+00
      6  -0.383210D+01  0.634759D+01  0.118175D+00  0.667914D+01  0.422784D+00
                91            92            93            94            95 
      1   0.180726D+02  0.257384D+01 -0.895269D+01  0.255437D+01  0.266237D+00
      2  -0.158819D+02 -0.216411D+01  0.103184D+02 -0.158495D+01 -0.104952D+00
      3  -0.219065D+01 -0.409729D+00 -0.136568D+01 -0.969426D+00 -0.161285D+00
      4   0.556923D+01  0.510368D+01 -0.224963D+01  0.584764D+01  0.140470D+01
      5  -0.217646D+02 -0.246822D+01  0.217417D+02 -0.219616D+01 -0.553946D+01
      6  -0.286936D+01 -0.236583D+01  0.364663D+01 -0.299253D+01 -0.196443D+01
                96            97            98            99           100 
      1  -0.304516D+00 -0.732865D+01 -0.324657D+00  0.280682D+01 -0.204387D+02
      2   0.137132D+00  0.123814D+02  0.143748D+01 -0.166813D+02  0.126980D+02
      3   0.167384D+00 -0.505271D+01 -0.111282D+01  0.138745D+02  0.774069D+01
      4  -0.418415D+01 -0.266131D+01 -0.321933D+01  0.334340D+01  0.124006D+02
      5   0.342852D+01  0.225097D+02  0.378695D+01 -0.277362D+02 -0.122023D+02
      6   0.598313D+01  0.308396D+01  0.478884D+01 -0.524117D+01  0.363801D+01
               101           102           103           104           105 
      1   0.167249D+02 -0.177694D+02  0.226234D+02 -0.115687D+02  0.506127D+01
      2  -0.152345D+02 -0.143486D+00 -0.206251D+02 -0.104975D+02 -0.635848D+01
      3  -0.149036D+01  0.179128D+02 -0.199824D+01  0.220663D+02  0.129721D+01
      4  -0.119882D+02  0.315368D+01 -0.182715D+02 -0.285591D+02 -0.238556D+01
      5   0.775614D+01  0.938267D+01  0.972050D+01 -0.484542D+01  0.646925D+01
      6  -0.379505D+01  0.682630D+01 -0.486924D+01 -0.565798D+01  0.296933D+01
               106           107           108           109           110 
      1  -0.130468D+02  0.467993D+01  0.200116D+02 -0.133352D+01 -0.287343D+01
      2   0.153783D+00 -0.427668D+01 -0.533205D+01  0.248791D+00  0.108826D+01
      3   0.128930D+02 -0.403247D+00 -0.146796D+02  0.108473D+01  0.178517D+01
      4   0.517752D+01  0.238820D+01  0.116099D+02 -0.417448D+00  0.512104D+01
      5   0.105136D+02  0.721984D+01  0.330414D+01  0.640985D+00  0.203854D+01
      6   0.730928D+01  0.167454D+01  0.528493D+00  0.357543D+01  0.256899D+01
               111           112           113           114           115 
      1  -0.270989D+01 -0.698825D+00 -0.980534D+01 -0.917349D+01 -0.218408D+01
      2   0.126794D+01 -0.613451D+00  0.885148D+01  0.602550D+01  0.120997D+01
      3   0.144195D+01  0.131228D+01  0.953857D+00  0.314799D+01  0.974111D+00
      4   0.267765D+01  0.449497D+01 -0.345313D+01 -0.208956D+01  0.320153D+01
      5   0.522782D+01  0.122716D+01 -0.174337D+01 -0.187540D+01  0.436544D+01
      6   0.358058D+01  0.604406D+00  0.126602D+02  0.150888D+02 -0.460330D+00
               116           117           118           119           120 
      1  -0.135968D+02 -0.222260D+02  0.107764D+02 -0.172371D+01  0.211619D+01
      2   0.649175D+01 -0.135252D+01  0.347717D+01 -0.102596D+02  0.848806D+00
      3   0.710508D+01  0.235785D+02 -0.142536D+02  0.119834D+02 -0.296499D+01
      4  -0.492895D+01 -0.580532D+01 -0.222624D+02  0.210603D+02 -0.540033D+01
      5  -0.436736D+01 -0.745019D+01  0.396116D+01 -0.218262D+01  0.452148D+01
      6   0.193998D+02  0.306849D+02 -0.341648D+01  0.182132D+01 -0.368435D+01
               121           122           123           124           125 
      1  -0.125665D+01 -0.392858D+01 -0.946939D-01  0.211574D+01  0.465530D+00
      2  -0.924320D+01  0.175122D+02 -0.363049D+01  0.182126D+01 -0.663015D+01
      3   0.104998D+02 -0.135836D+02  0.372518D+01 -0.393700D+01  0.616462D+01
      4   0.174325D+02 -0.203261D+02  0.415641D+01 -0.921251D+01  0.871489D+01
      5  -0.171870D+01  0.233383D+01 -0.258904D+01  0.515476D+01 -0.431660D+01
      6   0.188076D+01 -0.343617D+01  0.621525D+01 -0.409839D+01  0.748748D+01
               126           127           128           129           130 
      1  -0.183024D+01 -0.503792D+01 -0.114513D+01  0.114869D+02 -0.293585D+01
      2   0.253031D+01 -0.652302D+00  0.826242D+00  0.165463D+01  0.248658D+01
      3  -0.700070D+00  0.569023D+01  0.318883D+00 -0.131415D+02  0.449270D+00
      4  -0.648802D+01 -0.390212D+01  0.134185D+00  0.144419D+01  0.253471D+01
      5   0.372176D+01 -0.171726D+01 -0.135659D+01 -0.300620D+01 -0.134631D+01
      6  -0.273431D+01  0.799638D+00 -0.251314D+01 -0.429181D+01 -0.796948D+00
               131           132           133           134           135 
      1  -0.191917D+01 -0.344643D+00  0.116599D+02 -0.857119D+00 -0.206148D+02
      2   0.160552D+01  0.202321D+01 -0.106900D+01  0.144678D+01 -0.885534D+01
      3   0.313652D+00 -0.167857D+01 -0.105909D+02 -0.589656D+00  0.294701D+02
      4   0.246265D+01  0.191467D+01  0.277341D+01  0.267763D+01 -0.294754D+01
      5   0.146434D+01 -0.178210D+01  0.262898D+01  0.815031D-01  0.112403D+02
      6   0.933865D+00  0.390774D+01 -0.167814D+01  0.465279D+01  0.670119D+01
               136           137           138           139           140 
      1   0.516148D+02 -0.137659D+02  0.102159D+02 -0.226053D+02  0.104012D+02
      2  -0.302313D+02  0.915355D+01 -0.817454D+01  0.133086D+02 -0.335722D+01
      3  -0.213835D+02  0.461238D+01 -0.204141D+01  0.929661D+01 -0.704399D+01
      4  -0.865775D+01  0.118620D+02 -0.184036D+01  0.126049D+02 -0.800996D+01
      5   0.204649D+02 -0.539443D+01  0.121292D+02 -0.102933D+02  0.502999D+01
      6  -0.339225D+01  0.432254D+01 -0.109012D+01  0.426589D+01 -0.315427D+01
               141           142           143           144           145 
      1  -0.458723D+01  0.650250D+01 -0.183788D+01  0.387547D+01  0.962169D+01
      2   0.465049D+01 -0.607833D+01  0.257696D+01 -0.580549D+01 -0.115492D+01
      3  -0.632617D-01 -0.424166D+00 -0.739086D+00  0.193002D+01 -0.846677D+01
      4   0.295007D+01 -0.134184D+01  0.794268D+00 -0.338706D+01  0.110554D+02
      5  -0.763306D+01  0.110321D+02 -0.466502D+01  0.652631D+01  0.386740D+01
      6   0.182339D+01 -0.174375D+01  0.217255D+01 -0.508777D+00  0.164059D+01
               146           147           148           149           150 
      1   0.482280D+01  0.179509D+01  0.691144D+01 -0.243338D+01 -0.123830D+01
      2   0.254776D+01 -0.564602D+00  0.471626D+01  0.258765D+02  0.448218D+00
      3  -0.737055D+01 -0.123049D+01 -0.116277D+02 -0.234431D+02  0.790080D+00
      4   0.164430D+02  0.968416D+00  0.226251D+02  0.414517D+02  0.460436D+01
      5   0.165010D+01  0.268713D+01  0.452596D+01  0.508965D+01  0.679403D+01
      6   0.357827D+01  0.118397D+01  0.528231D+01  0.128219D+02  0.721344D+01
               151           152           153 
      1  -0.618467D+00 -0.113385D+01 -0.290993D+01
      2   0.755572D-01 -0.159690D+01  0.196720D+01
      3   0.542910D+00  0.273075D+01  0.942731D+00
      4  -0.103785D+01 -0.901893D+00  0.377674D+01
      5   0.261843D+01  0.460790D+01  0.613841D+00
      6   0.168247D+01  0.635011D+01  0.100078D+01
 Leave Link  716 at Thu Jul  8 18:17:39 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.831213D+02 -0.924863D+00 -0.159910D+01
      2  -0.924863D+00  0.764441D+02 -0.189240D+01
      3  -0.159910D+01 -0.189240D+01  0.670568D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.337604D+01  0.196595D-02 -0.201214D+01
      2  -0.101652D+02 -0.390231D+01 -0.187587D+02
      3   0.562281D+01  0.137639D+02  0.346022D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.213714D+02 -0.176991D+02 -0.268298D+02
      2   0.115620D+02  0.166055D+02  0.100883D+02
      3   0.980942D+01  0.109355D+01  0.167415D+02
      4  -0.858231D+01 -0.298898D+02 -0.953978D+01
      5  -0.230032D+02 -0.709368D+01 -0.410539D+02
      6  -0.279220D+00  0.257491D+01  0.562740D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.268181D-01 -0.248767D+01 -0.122160D+01 -0.194353D+01 -0.385761D+01
      2  -0.248767D+01 -0.556472D+01  0.750628D+00 -0.385761D+01 -0.281222D-01
      3  -0.122160D+01  0.750628D+00  0.364241D+00  0.941055D-01 -0.988541D+00
                 6             7             8             9            10 
      1   0.941055D-01 -0.133676D+01 -0.111383D+01  0.754823D+00 -0.595650D+01
      2  -0.988541D+00 -0.111383D+01 -0.217555D+00 -0.112423D+01  0.436479D+01
      3  -0.331890D+00  0.754823D+00 -0.112423D+01  0.533948D+01  0.103149D+01
                11            12            13            14            15 
      1   0.436479D+01  0.103149D+01  0.315996D+01  0.882559D+00 -0.874935D+00
      2   0.518347D+01 -0.283129D+01  0.882559D+00 -0.344337D+01  0.664805D+00
      3  -0.283129D+01  0.123898D+01 -0.874935D+00  0.664805D+00  0.365637D+00
                16            17            18            19            20 
      1   0.144378D+01 -0.113788D+01 -0.375551D+00  0.119054D+01 -0.301310D+01
      2  -0.113788D+01 -0.116753D+01  0.947196D+00 -0.301310D+01 -0.163208D+01
      3  -0.375551D+00  0.947196D+00 -0.233581D+00  0.117620D+01  0.123785D+01
                21            22            23            24            25 
      1   0.117620D+01 -0.212301D+01 -0.139119D+00  0.281290D+00 -0.115193D+01
      2   0.123785D+01 -0.139119D+00  0.724882D+01  0.125838D+01  0.472157D+00
      3  -0.282749D+01  0.281290D+00  0.125838D+01 -0.359439D+00 -0.197952D+01
                26            27            28            29            30 
      1   0.472157D+00 -0.197952D+01 -0.142219D+01  0.248101D+01 -0.217889D+01
      2   0.262528D+01  0.308752D+00  0.248101D+01 -0.340936D+01  0.118821D+01
      3   0.308752D+00 -0.571325D+01 -0.217889D+01  0.118821D+01  0.436730D+01
                31            32            33            34            35 
      1   0.204391D+01 -0.219865D+01  0.906858D+00 -0.182262D+01  0.759288D+00
      2  -0.219865D+01 -0.527114D+01 -0.959833D+00  0.759288D+00  0.797172D+00
      3   0.906858D+00 -0.959833D+00  0.196130D+01  0.526452D+01  0.215164D+01
                36            37            38            39            40 
      1   0.526452D+01  0.541923D+00 -0.191851D+01  0.252892D+01 -0.681639D+00
      2   0.215164D+01 -0.191851D+01  0.326755D+01 -0.991682D+00  0.371611D+01
      3  -0.358346D+00  0.252892D+01 -0.991682D+00 -0.139521D+01 -0.147502D+01
                41            42            43            44            45 
      1   0.371611D+01 -0.147502D+01  0.277360D+01 -0.227386D+01 -0.105879D+01
      2   0.233098D+01  0.113335D+00 -0.227386D+01 -0.134104D+00 -0.379619D+01
      3   0.113335D+00 -0.229289D+01 -0.105879D+01 -0.379619D+01 -0.515368D+01
                46            47            48            49            50 
      1   0.153091D+02 -0.380557D+01 -0.206969D+01 -0.313300D+01  0.376681D+01
      2  -0.380557D+01  0.745412D+00  0.120527D+01  0.376681D+01 -0.204002D+01
      3  -0.206969D+01  0.120527D+01  0.122441D+01  0.779363D+00 -0.120259D+01
                51            52            53            54            55 
      1   0.779363D+00 -0.213108D+01  0.756808D+00  0.391359D+01 -0.624513D+00
      2  -0.120259D+01  0.756808D+00 -0.241326D+00 -0.160320D+01  0.564346D+00
      3  -0.712590D+00  0.391359D+01 -0.160320D+01 -0.189119D+01 -0.982493D+00
                56            57            58            59            60 
      1   0.564346D+00 -0.982493D+00  0.112347D+00  0.200615D+00  0.133781D+00
      2   0.577848D+00 -0.113979D+00  0.200615D+00  0.877896D+00 -0.978051D+00
      3  -0.113979D+00 -0.353303D+00  0.133781D+00 -0.978051D+00  0.542324D+00
                61            62            63            64            65 
      1  -0.159750D+01  0.285715D+00 -0.572422D-01  0.439308D+01  0.345849D+01
      2   0.285715D+00 -0.224959D+01  0.231736D+01  0.345849D+01  0.466413D+01
      3  -0.572422D-01  0.231736D+01 -0.829816D+01  0.238715D+00 -0.707945D-01
                66            67            68            69            70 
      1   0.238715D+00  0.279053D+01  0.305812D+01  0.100892D+00  0.115248D+01
      2  -0.707945D-01  0.305812D+01  0.607854D+01  0.530961D+00  0.970840D+00
      3   0.659037D+00  0.100892D+00  0.530961D+00  0.888937D+00  0.521237D+00
                71            72            73            74            75 
      1   0.970840D+00  0.521237D+00  0.775807D+00  0.265701D-01  0.140187D+01
      2   0.135437D+01  0.129318D+01  0.265701D-01  0.700206D+00 -0.850363D+00
      3   0.129318D+01 -0.347660D-01  0.140187D+01 -0.850363D+00  0.216654D+01
                76            77            78            79            80 
      1   0.476285D+00  0.983650D-01 -0.100962D+00  0.240348D+01 -0.314419D+00
      2   0.983650D-01 -0.101220D+01  0.115423D+01 -0.314419D+00  0.147247D+01
      3  -0.100962D+00  0.115423D+01 -0.282599D+00  0.155073D+01 -0.192023D+01
                81            82            83            84            85 
      1   0.155073D+01 -0.111386D+00 -0.100941D+01 -0.430276D+00 -0.164135D+01
      2  -0.192023D+01 -0.100941D+01  0.547211D+00 -0.301782D+00 -0.593680D-02
      3   0.968974D+01 -0.430276D+00 -0.301782D+00  0.282434D+00 -0.838834D-01
                86            87            88            89            90 
      1  -0.593680D-02 -0.838834D-01 -0.532202D+00  0.149630D+00  0.602133D-01
      2  -0.965580D+01 -0.333362D+00  0.149630D+00 -0.278959D+01 -0.126524D+01
      3  -0.333362D+00 -0.124171D+01  0.602133D-01 -0.126524D+01  0.258645D+00
                91            92            93            94            95 
      1  -0.504909D+01 -0.101789D+01  0.296315D+01 -0.721894D+00 -0.784279D+00
      2  -0.101789D+01 -0.666389D+00  0.173102D+00 -0.784279D+00 -0.702883D-01
      3   0.296315D+01  0.173102D+00 -0.361645D+01  0.162037D+00  0.101709D+01
                96            97            98            99           100 
      1   0.162037D+00  0.338302D+01  0.433817D+00 -0.371003D+01  0.372071D+01
      2   0.101709D+01  0.433817D+00  0.919166D+00 -0.819476D+00 -0.276909D+01
      3  -0.843536D+00 -0.371003D+01 -0.819476D+00  0.543726D+01  0.197245D+01
               101           102           103           104           105 
      1  -0.276909D+01  0.197245D+01 -0.355682D+01  0.428951D+01 -0.134238D+01
      2   0.300138D+01 -0.116608D+01  0.428951D+01  0.625315D+01  0.816546D+00
      3  -0.116608D+01 -0.378463D+01 -0.134238D+01  0.816546D+00 -0.163400D+01
               106           107           108           109           110 
      1   0.128628D+01 -0.131502D+01 -0.417762D+01  0.466987D+00  0.774235D+00
      2  -0.131502D+01 -0.829384D+00 -0.160814D+01  0.774235D+00  0.322905D-01
      3  -0.417762D+01 -0.160814D+01  0.115087D+01  0.763299D+00  0.373376D+00
               111           112           113           114           115 
      1   0.763299D+00  0.675704D+00 -0.305317D+00  0.383533D-01  0.118266D+01
      2   0.373376D+00 -0.305317D+00  0.225621D+01  0.218165D+01  0.463737D+00
      3   0.778391D+00  0.383533D-01  0.218165D+01  0.237466D+01  0.101888D+00
               116           117           118           119           120 
      1   0.463737D+00  0.101888D+00 -0.478354D+01  0.320247D+01 -0.121822D+01
      2   0.314513D+01  0.381831D+01  0.320247D+01 -0.374803D+01  0.669865D+00
      3   0.381831D+01  0.768747D+01 -0.121822D+01  0.669865D+00 -0.900856D+00
               121           122           123           124           125 
      1   0.251646D+01 -0.291231D+01  0.598469D+00 -0.199251D+01  0.133648D+01
      2  -0.291231D+01  0.430371D+01 -0.778262D+00  0.133648D+01 -0.188746D+01
      3   0.598469D+00 -0.778262D+00  0.117559D+01 -0.106265D+01  0.164335D+01
               126           127           128           129           130 
      1  -0.106265D+01  0.190965D+01  0.552964D+00 -0.136284D+01  0.609888D+00
      2   0.164335D+01  0.552964D+00  0.506194D+00  0.329818D+00 -0.309252D-01
      3  -0.574080D+00 -0.136284D+01  0.329818D+00  0.306683D+01  0.115065D+00
               131           132           133           134           135 
      1  -0.309252D-01  0.115065D+00 -0.196920D+01 -0.872318D-01  0.138403D+01
      2  -0.506383D+00 -0.814733D+00 -0.872318D-01 -0.998101D+00 -0.117353D+00
      3  -0.814733D+00  0.450761D+00  0.138403D+01 -0.117353D+00 -0.606474D+01
               136           137           138           139           140 
      1  -0.816394D+01  0.215286D+01 -0.218455D+01  0.398176D+01 -0.229199D+01
      2   0.215286D+01 -0.204804D+01  0.473531D+00 -0.229199D+01  0.136366D+01
      3  -0.218455D+01  0.473531D+00 -0.127453D+01  0.128650D+01 -0.599905D+00
               141           142           143           144           145 
      1   0.128650D+01 -0.123542D+01  0.507550D+00 -0.104991D+01 -0.216978D+01
      2  -0.599905D+00  0.507550D+00 -0.104211D+00  0.583239D+00 -0.155650D+01
      3   0.132092D+01 -0.104991D+01  0.583239D+00 -0.101230D+01 -0.427525D+00
               146           147           148           149           150 
      1  -0.155650D+01 -0.427525D+00 -0.256561D+01 -0.348596D+01 -0.619528D+00
      2  -0.215709D+01 -0.756795D-01 -0.348596D+01 -0.868565D+01 -0.108172D+01
      3  -0.756795D-01  0.431764D-02 -0.619528D+00 -0.108172D+01 -0.138148D+01
               151           152           153 
      1   0.143934D+00  0.106225D+00 -0.797246D-01
      2   0.106225D+00  0.305261D+00 -0.808979D+00
      3  -0.797246D-01 -0.808979D+00 -0.229374D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.567461D+01  0.480541D+01 -0.213701D+01  0.213017D+01  0.297659D+01
      2  -0.845297D+00 -0.128827D+01  0.994493D+00 -0.192262D+01 -0.370974D+01
      3   0.538862D+01  0.981861D+00 -0.503412D+01  0.666756D+01 -0.530110D+01
                 6             7             8             9            10 
      1  -0.405797D+01 -0.491996D+01  0.560737D+01 -0.814830D+01 -0.367877D+01
      2  -0.104126D+01 -0.345589D+01 -0.299965D+01  0.847000D+01 -0.412117D+01
      3  -0.259404D+00 -0.423286D+01 -0.358049D+01  0.449797D+01  0.879684D+00
                11            12            13            14            15 
      1   0.877733D+01 -0.343530D+01  0.559523D+01  0.601896D+01 -0.192560D+00
      2  -0.894352D+01 -0.423799D+01 -0.485111D+01  0.305417D+00  0.218622D+01
      3  -0.576462D+01  0.515297D+01 -0.407837D+00 -0.520467D-01 -0.160007D+01
                16            17            18            19            20 
      1   0.320471D+01  0.191119D+02 -0.714960D+01 -0.527307D+00 -0.207764D+00
      2  -0.125391D+02 -0.211071D+01  0.654531D+01 -0.455612D+01  0.510486D+01
      3   0.322566D+01 -0.537924D+01 -0.308074D+00 -0.507411D+00  0.479976D+01
                21            22            23            24            25 
      1  -0.519616D+01  0.142295D+01  0.970943D+01 -0.262855D+01 -0.101773D+01
      2   0.903021D+00  0.423933D+01 -0.876029D+00  0.258064D+01 -0.488945D+01
      3  -0.268946D+01  0.888985D+01 -0.631816D+01  0.984261D+00 -0.141517D+01
                26            27            28            29            30 
      1   0.577908D+01 -0.885678D+01  0.167577D+01 -0.198937D+01  0.104539D+01
      2   0.934089D+00 -0.173994D+01  0.904741D+01 -0.218311D+01 -0.218346D+01
      3   0.682674D+00  0.219950D+01  0.558366D+01 -0.949339D+01  0.194877D+01
                31            32            33            34            35 
      1  -0.290411D+01 -0.348037D+01 -0.299296D+01 -0.599006D+00  0.506253D+01
      2  -0.411918D+01  0.127115D+01 -0.236196D+01 -0.942113D+01 -0.447132D+01
      3  -0.333911D+01 -0.762513D+01  0.100476D+00  0.106338D+01  0.118827D+00
                36            37            38            39            40 
      1   0.573505D+00 -0.430643D+01  0.561601D+01  0.223234D+01  0.579727D+01
      2  -0.136650D+00 -0.721723D+01  0.395755D+01  0.177262D+01  0.279905D+01
      3   0.124348D+01 -0.582188D+01 -0.735331D+00  0.328877D+01  0.517345D+01
                41            42            43            44            45 
      1   0.307929D+01  0.212004D+01  0.197889D+01  0.986092D+01  0.509978D+01
      2  -0.245208D+01  0.260088D+01 -0.429696D+01  0.535545D+01  0.445907D+01
      3   0.915584D+01 -0.183856D+01  0.367765D+01 -0.419175D+01 -0.420215D+01
                46            47            48            49            50 
      1   0.169931D+01 -0.531414D+01  0.390487D+01 -0.162759D+01 -0.117743D+00
      2  -0.993460D+00  0.203515D+01  0.121915D+02  0.179359D+01 -0.147600D+01
      3  -0.167240D+01 -0.115212D+02 -0.418069D+00 -0.780002D+00  0.576934D+01
                51            52            53            54            55 
      1  -0.259327D+01 -0.750015D+00 -0.373228D+01  0.152202D+01  0.674176D-01
      2  -0.379140D+01  0.460362D+01  0.900414D-01 -0.606888D+01 -0.200779D+01
      3   0.848958D+00  0.143460D+01  0.405173D+01  0.532642D+00 -0.191289D+01
                56            57            58            59            60 
      1   0.985816D+00  0.918294D+00  0.152357D+01  0.101067D+00 -0.688064D+00
      2   0.219370D+00  0.516854D-01 -0.841037D-01 -0.542903D+00 -0.107690D+00
      3  -0.123358D+01 -0.467570D+00  0.607602D+00  0.886277D+00  0.124367D+00
                61            62            63            64            65 
      1   0.972186D+00 -0.313319D+01  0.152983D+02 -0.178153D+01 -0.621507D+01
      2  -0.340221D+01  0.334578D+01 -0.101956D+02  0.221546D+01  0.250812D+01
      3  -0.282382D+01  0.330392D+01 -0.256115D+01  0.393111D+01 -0.680101D+00
                66            67            68            69            70 
      1  -0.153851D+01 -0.250808D+01 -0.486723D+01 -0.290323D+01 -0.149162D+01
      2   0.244321D+01  0.205132D+01  0.358045D+01  0.155690D+01  0.257378D+00
      3   0.655813D+00  0.480026D+01 -0.344612D-01 -0.442165D+00  0.169181D+01
                71            72            73            74            75 
      1  -0.207829D+01 -0.592529D+00 -0.249346D+00 -0.130294D+01  0.484421D+01
      2   0.191015D+01  0.156817D+00  0.111008D+01 -0.495715D-01 -0.498230D+00
      3  -0.127612D+00 -0.249111D+00 -0.104181D+00 -0.200170D+01 -0.138552D+01
                76            77            78            79            80 
      1  -0.129417D+01  0.211850D+00  0.283497D+00  0.103841D+01 -0.688811D+00
      2  -0.785124D+00  0.818253D-01  0.900575D-02 -0.399239D+01  0.556611D+00
      3   0.412895D+00  0.116832D+00 -0.334729D-01 -0.269845D+01  0.416032D+00
                81            82            83            84            85 
      1   0.129672D+02  0.113988D+00  0.916460D-01 -0.498609D+00 -0.175403D+01
      2   0.724382D+00 -0.102818D+01 -0.188947D+00  0.177449D+01  0.157700D+01
      3  -0.257040D+01  0.503158D+00 -0.170220D+01  0.948204D+00  0.590972D+01
                86            87            88            89            90 
      1  -0.121791D+02 -0.381005D+01 -0.511242D+00 -0.346981D+01 -0.140720D+01
      2   0.255717D+00 -0.726144D+00 -0.279765D+00  0.781663D-01 -0.333540D+00
      3   0.312179D+01 -0.140904D+00  0.202132D+01  0.135063D+01  0.229240D+00
                91            92            93            94            95 
      1  -0.721307D+00 -0.179627D+01 -0.694977D+00 -0.306162D+00  0.158069D+00
      2   0.458526D+00  0.316021D+00  0.476375D+01  0.465151D+00 -0.870375D+00
      3   0.390228D+00 -0.284639D+01 -0.723398D+00  0.598515D+00 -0.467125D-01
                96            97            98            99           100 
      1  -0.350501D+00  0.490477D+00  0.286618D+01 -0.106758D+00  0.521662D+01
      2   0.147896D+01  0.868208D-01  0.917690D+00 -0.564758D+01  0.210422D-01
      3   0.133970D+01 -0.108166D+01  0.294345D+01 -0.152761D+00 -0.989286D+01
               101           102           103           104           105 
      1  -0.494473D+01 -0.281362D+01 -0.735362D+01 -0.726595D+01 -0.476986D+01
      2   0.235880D+00  0.148975D+02  0.277690D+00  0.280648D+01  0.228624D+01
      3   0.780371D+01 -0.454531D+01  0.146707D+02  0.112974D+02  0.250712D+01
               106           107           108           109           110 
      1  -0.167683D+01  0.105373D+00  0.371864D+01  0.279578D+00 -0.778629D+00
      2   0.859341D+01  0.240559D+01 -0.760642D+01 -0.865217D+00 -0.103209D+01
      3  -0.414424D+01  0.271393D+00 -0.581554D+00  0.190859D+01  0.127143D+00
               111           112           113           114           115 
      1  -0.925242D+00 -0.309940D+00 -0.121361D+01 -0.379761D+01 -0.842511D-01
      2   0.373208D-01 -0.144702D+01 -0.145597D+01 -0.198923D+01 -0.331401D+01
      3   0.119003D+01  0.218036D+01  0.586725D+00  0.208596D+01  0.313539D+01
               116           117           118           119           120 
      1  -0.576867D+00 -0.103586D+02  0.263082D+01 -0.198037D+01  0.277814D+01
      2  -0.319907D+01 -0.632270D+01  0.341919D+01 -0.264301D+01  0.338254D+01
      3   0.328459D+01  0.270081D+01 -0.584528D+01 -0.135699D+01 -0.109868D+01
               121           122           123           124           125 
      1  -0.233925D+01  0.276790D+01 -0.389960D+01  0.163828D+01 -0.170030D+01
      2  -0.160758D+01  0.229817D+01 -0.243317D+01  0.106536D+01 -0.256458D+01
      3   0.383755D+01 -0.921094D-01  0.102763D+00 -0.312447D+01 -0.109830D+01
               126           127           128           129           130 
      1   0.216424D+01 -0.250709D+01 -0.178723D+01  0.267564D+01 -0.504800D+00
      2   0.187395D+01  0.734371D+01  0.795741D+00 -0.722334D+01  0.129537D+01
      3   0.155107D+00 -0.906296D+00 -0.522796D+00  0.145925D+01  0.467887D+00
               131           132           133           134           135 
      1  -0.545976D+00  0.307657D+00  0.215424D+01  0.333298D+01 -0.496459D+01
      2   0.187255D+01 -0.821116D+00 -0.891567D+01 -0.377364D+00  0.140870D+02
      3  -0.703030D+00 -0.140472D+01  0.126640D+01 -0.117851D+01 -0.132728D+01
               136           137           138           139           140 
      1  -0.428854D+01  0.351511D+01 -0.715706D+00  0.289192D+01 -0.227458D+01
      2  -0.254732D+01  0.106481D+01  0.372372D+01  0.121726D+01 -0.650804D+00
      3   0.947696D+01 -0.916629D+01  0.259784D+01 -0.595070D+01  0.580294D+01
               141           142           143           144           145 
      1   0.881365D-01 -0.118454D+01  0.166828D+01 -0.130978D+01  0.702214D+00
      2  -0.304276D+01 -0.740499D+00 -0.956643D+00  0.197386D+01 -0.233179D+00
      3  -0.174314D+01  0.226968D+01 -0.119295D+01  0.226510D+01 -0.935423D+00
               146           147           148           149           150 
      1   0.252519D+01 -0.443751D+00  0.234015D+01  0.786786D+01 -0.364312D+01
      2  -0.855399D+00  0.735121D+00 -0.899016D+00 -0.437859D+00  0.361588D+01
      3  -0.490888D+01  0.670089D-01 -0.217771D+01 -0.170266D+02 -0.143075D+01
               151           152           153 
      1   0.294609D+00  0.205947D+00  0.603947D+00
      2  -0.920512D+00  0.154798D+01  0.560482D+00
      3  -0.265205D+00  0.325608D+00 -0.187139D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.218423D+00  0.175204D+01  0.618960D+00 -0.397955D+01 -0.592109D+01
      2  -0.531349D+01 -0.169704D+02  0.827097D+00 -0.777623D+01  0.154424D+01
      3   0.553191D+01  0.152183D+02 -0.144606D+01  0.117558D+02  0.437685D+01
      4  -0.798035D+01 -0.168706D+02 -0.308592D+01 -0.683795D+01 -0.165292D+02
      5   0.434379D+00 -0.220943D+01 -0.100404D+00 -0.185427D+01 -0.175687D+01
      6  -0.415953D+01 -0.315117D+00  0.384272D+01 -0.229230D+01 -0.458700D+01
                 6             7             8             9            10 
      1   0.249820D+01  0.540907D+01 -0.439031D+01  0.114880D+02 -0.410136D+02
      2  -0.402866D+01 -0.334467D+01 -0.687014D+01  0.442498D+01  0.209631D+02
      3   0.153046D+01 -0.206440D+01  0.112604D+02 -0.159129D+02  0.200505D+02
      4  -0.157604D+01 -0.767479D+01  0.980196D-01 -0.372721D+01  0.183460D+02
      5  -0.137552D+01 -0.682515D+00 -0.122289D+01  0.481429D+01  0.951088D+01
      6   0.406985D+01  0.354115D+01 -0.436917D+01  0.169943D+02 -0.444256D+01
                11            12            13            14            15 
      1   0.718925D+01  0.110992D+01  0.155233D+02  0.644536D+00 -0.537599D+01
      2   0.380268D+01 -0.593713D+01 -0.944728D+01 -0.225687D+01  0.217516D+01
      3  -0.109919D+02  0.482721D+01 -0.607601D+01  0.161233D+01  0.320084D+01
      4  -0.922392D+01 -0.309178D+01 -0.228353D+01  0.208525D+01  0.162958D+01
      5  -0.208641D+01 -0.960506D+01 -0.269949D+01  0.229579D+01  0.467129D+01
      6   0.746022D+01  0.277582D+01  0.260539D+01  0.738722D+00 -0.415473D+01
                16            17            18            19            20 
      1   0.105461D+02 -0.457149D+01 -0.711116D+01 -0.207670D+01 -0.371746D+01
      2  -0.515726D+01  0.277850D+01 -0.159764D+01  0.382963D+01  0.217055D+01
      3  -0.538884D+01  0.179299D+01  0.870880D+01 -0.175293D+01  0.154690D+01
      4  -0.199776D+01  0.550848D+01  0.321867D+01  0.858384D+00  0.889754D+00
      5   0.197943D+01  0.137993D+01  0.748264D+01 -0.573958D+01 -0.680390D+00
      6   0.176411D+01  0.644949D+00  0.234476D+00 -0.352375D+01 -0.367981D+01
                21            22            23            24            25 
      1   0.626050D+01  0.477259D+01  0.765067D+01  0.373373D+01  0.107632D+01
      2   0.373170D+01 -0.425696D+01 -0.211925D+02 -0.329022D+01  0.147557D+01
      3  -0.999220D+01 -0.515631D+00  0.135418D+02 -0.443513D+00 -0.255188D+01
      4  -0.135827D+00 -0.583135D+00  0.373249D+01 -0.851145D+00 -0.119435D+01
      5  -0.146464D+00 -0.789850D+00 -0.630589D+00  0.441994D+01  0.369057D+01
      6   0.640722D+01  0.343414D+00 -0.410993D+01  0.406220D+01  0.167262D+01
                26            27            28            29            30 
      1   0.113188D+01  0.203865D+02  0.432678D-01 -0.447963D+01  0.758981D+01
      2  -0.897308D+01  0.512946D+01  0.414568D+01  0.139370D+01 -0.552720D+01
      3   0.784120D+01 -0.255160D+02 -0.418894D+01  0.308593D+01 -0.206261D+01
      4  -0.225819D+01  0.361762D+01 -0.530463D+01  0.310324D+01 -0.189726D+01
      5   0.281851D+01 -0.110285D+02  0.147136D+02  0.928045D+00 -0.198485D+02
      6   0.523682D+00  0.122184D+02  0.230761D+01 -0.207277D+01 -0.516424D+01
                31            32            33            34            35 
      1  -0.841638D+01  0.731001D+01 -0.393867D+01  0.493330D+00 -0.416218D+01
      2   0.575811D+01 -0.338707D+01  0.284747D+01 -0.508818D+01  0.590252D+00
      3   0.265827D+01 -0.392294D+01  0.109120D+01  0.459485D+01  0.357193D+01
      4   0.541260D+01  0.780855D+01  0.111797D+01 -0.631891D+01 -0.364361D+01
      5  -0.147573D+01  0.149308D+01 -0.643943D+01 -0.236237D+02 -0.832525D+01
      6   0.126816D+01 -0.860884D+00 -0.222842D+01 -0.569998D+01 -0.438489D-01
                36            37            38            39            40 
      1  -0.181266D+02 -0.327548D+01  0.267557D+01 -0.697573D+00  0.382549D+01
      2   0.146310D+02 -0.479897D+01  0.940003D+01 -0.130118D+01  0.783220D+01
      3   0.349563D+01  0.807445D+01 -0.120756D+02  0.199875D+01 -0.116577D+02
      4  -0.997857D+01  0.583447D+01 -0.147546D+02  0.849797D+01 -0.117844D+02
      5   0.105731D+02 -0.757235D+01  0.374683D+01  0.142881D+01  0.991499D+00
      6   0.147344D+01  0.552875D+01 -0.460490D+01 -0.391603D+01 -0.432359D+01
                41            42            43            44            45 
      1  -0.571684D+01  0.645049D+01 -0.850252D+00  0.104722D+02  0.158348D+02
      2   0.722041D+01  0.193630D+01 -0.220218D+01  0.349184D+01 -0.583712D+01
      3  -0.150357D+01 -0.838680D+01  0.305244D+01 -0.139641D+02 -0.999768D+01
      4   0.771333D+01 -0.349645D+01  0.139553D+02 -0.194028D+01  0.776961D+01
      5  -0.276924D+01  0.154084D+01  0.342984D+01  0.513118D+01  0.258433D+01
      6   0.128837D+01 -0.103510D+02 -0.618016D+00 -0.123186D+02 -0.209301D+02
                46            47            48            49            50 
      1   0.872843D+02 -0.134247D+02 -0.656794D+01 -0.138577D+02  0.104945D+02
      2  -0.457356D+02  0.275993D+01  0.625064D+01  0.425608D+01 -0.325012D+00
      3  -0.415487D+02  0.106648D+02  0.317294D+00  0.960158D+01 -0.101695D+02
      4  -0.267158D+02  0.221407D+02  0.451210D+01  0.244644D+02 -0.160298D+02
      5  -0.119655D+02  0.306600D+01  0.207665D+02  0.451894D+01 -0.446350D+01
      6   0.788353D+01 -0.450235D+01 -0.517216D+01 -0.473113D+01  0.440616D+01
                51            52            53            54            55 
      1   0.182828D+01 -0.768490D+01  0.212492D+01  0.114208D+02 -0.236358D+01
      2  -0.122360D+01  0.664174D+01  0.192005D+00 -0.109827D+02 -0.712031D+00
      3  -0.604684D+00  0.104316D+01 -0.231693D+01 -0.438171D+00  0.307561D+01
      4  -0.550445D+01  0.585110D+01 -0.527607D+01 -0.780047D+01  0.506753D+00
      5  -0.643235D+01  0.235563D+02 -0.709334D+01 -0.126164D+02 -0.518847D+00
      6   0.688613D+01 -0.614570D+01  0.776841D+01  0.389935D+01 -0.260992D+01
                56            57            58            59            60 
      1   0.874165D+00 -0.148594D+01 -0.931213D-01 -0.516000D+01  0.324624D+01
      2   0.577270D+00  0.506475D+00  0.898882D+00  0.429864D+01 -0.404694D+01
      3  -0.145144D+01  0.979468D+00 -0.805760D+00  0.861359D+00  0.800704D+00
      4   0.502749D+01 -0.243687D+01  0.212290D+01  0.272247D+01 -0.943598D+00
      5  -0.129864D+01  0.523144D+01  0.588222D+00 -0.351304D+00 -0.412702D+00
      6  -0.484061D+00 -0.189640D+01 -0.223696D+00 -0.452076D+01  0.685121D+01
                61            62            63            64            65 
      1  -0.345473D+01  0.971696D+01 -0.205216D+02  0.854936D+01  0.145339D+00
      2   0.159497D+01 -0.294705D+01 -0.883765D+01  0.488348D+01  0.134579D+02
      3   0.185976D+01 -0.676992D+01  0.293593D+02 -0.134328D+02 -0.136033D+02
      4  -0.283550D+01 -0.346662D+01  0.510784D+01  0.218263D+02  0.252600D+02
      5   0.490475D+01  0.229338D+01 -0.833760D+01  0.105550D+01  0.536255D+00
      6  -0.916037D-01  0.126804D+02 -0.253457D+02  0.106123D+01  0.529684D+00
                66            67            68            69            70 
      1   0.297357D+00 -0.682646D+00 -0.923162D+01  0.439202D+00  0.752133D+00
      2   0.130803D+00  0.111121D+02  0.266071D+02  0.152791D+01  0.107987D+01
      3  -0.428160D+00 -0.104295D+02 -0.173755D+02 -0.196711D+01 -0.183200D+01
      4   0.820241D+00  0.173326D+02  0.247719D+02  0.166476D+01  0.509979D+01
      5   0.420743D+01  0.957725D+00  0.255355D+01  0.211537D+01  0.365456D+01
      6   0.299501D+01  0.396313D+00  0.126806D+01  0.521904D+01  0.339160D+01
                71            72            73            74            75 
      1  -0.241800D+00 -0.316105D+01  0.495687D+00  0.257919D+01 -0.421285D+01
      2   0.517557D+01  0.261465D+01 -0.426354D+01 -0.435945D+00 -0.356046D+01
      3  -0.493377D+01  0.546399D+00  0.376785D+01 -0.214325D+01  0.777331D+01
      4   0.494232D+01  0.554986D+01 -0.171358D+01  0.385556D+01 -0.426292D+01
      5   0.441134D+01  0.148966D+01  0.584989D+01 -0.268218D+01  0.103388D+02
      6   0.779637D+01  0.275877D+00 -0.279798D+01  0.337598D+01 -0.575740D+01
                76            77            78            79            80 
      1   0.146491D+00 -0.663988D+01  0.237182D+01 -0.187903D+01  0.742526D+01
      2   0.676596D+00  0.426666D+01 -0.361989D+01 -0.259779D+01 -0.589880D+00
      3  -0.823087D+00  0.237322D+01  0.124808D+01  0.447682D+01 -0.683538D+01
      4   0.135326D+01 -0.388438D+00  0.138335D+01 -0.416712D+01  0.208391D+01
      5   0.235382D+00  0.161934D+01 -0.223703D+00  0.651658D+01 -0.247353D+01
      6   0.143178D+01 -0.388618D+01  0.715387D+01 -0.295232D+01  0.105567D+02
                81            82            83            84            85 
      1  -0.281004D+02  0.128172D+00  0.559752D+00 -0.122659D+01 -0.121453D+01
      2  -0.143731D+02  0.308409D+01 -0.149671D+01  0.738199D+00  0.126857D+01
      3   0.424735D+02 -0.321226D+01  0.936957D+00  0.488387D+00 -0.540354D-01
      4  -0.353840D+01 -0.367986D+00  0.928045D+01  0.434233D+00  0.665625D+01
      5   0.123925D+02 -0.617341D+00 -0.125541D+01  0.210046D+01 -0.391606D+00
      6  -0.215664D+02  0.777037D+00  0.676014D+00 -0.285729D+00  0.551918D+00
                86            87            88            89            90 
      1  -0.254053D+02  0.689909D+00 -0.442149D+00 -0.363899D+01 -0.592676D+01
      2   0.452638D+02  0.190369D+01  0.169415D+00  0.896434D+01  0.365276D+01
      3  -0.198585D+02 -0.259359D+01  0.272734D+00 -0.532535D+01  0.227401D+01
      4  -0.178223D+01  0.106792D-01  0.238329D+01 -0.157280D+01 -0.321032D+00
      5   0.220192D+00 -0.675929D+00  0.872483D+00 -0.191421D+00  0.826842D+00
      6  -0.383210D+01  0.634759D+01  0.118175D+00  0.667914D+01  0.422784D+00
                91            92            93            94            95 
      1   0.180726D+02  0.257384D+01 -0.895269D+01  0.255437D+01  0.266237D+00
      2  -0.158819D+02 -0.216411D+01  0.103184D+02 -0.158495D+01 -0.104952D+00
      3  -0.219065D+01 -0.409729D+00 -0.136568D+01 -0.969426D+00 -0.161285D+00
      4   0.556923D+01  0.510368D+01 -0.224963D+01  0.584764D+01  0.140470D+01
      5  -0.217646D+02 -0.246822D+01  0.217417D+02 -0.219616D+01 -0.553946D+01
      6  -0.286936D+01 -0.236583D+01  0.364663D+01 -0.299253D+01 -0.196443D+01
                96            97            98            99           100 
      1  -0.304516D+00 -0.732865D+01 -0.324657D+00  0.280682D+01 -0.204387D+02
      2   0.137132D+00  0.123814D+02  0.143748D+01 -0.166813D+02  0.126980D+02
      3   0.167384D+00 -0.505271D+01 -0.111282D+01  0.138745D+02  0.774069D+01
      4  -0.418415D+01 -0.266131D+01 -0.321933D+01  0.334340D+01  0.124006D+02
      5   0.342852D+01  0.225097D+02  0.378695D+01 -0.277362D+02 -0.122023D+02
      6   0.598313D+01  0.308396D+01  0.478884D+01 -0.524117D+01  0.363801D+01
               101           102           103           104           105 
      1   0.167249D+02 -0.177694D+02  0.226234D+02 -0.115687D+02  0.506127D+01
      2  -0.152345D+02 -0.143486D+00 -0.206251D+02 -0.104975D+02 -0.635848D+01
      3  -0.149036D+01  0.179128D+02 -0.199824D+01  0.220663D+02  0.129721D+01
      4  -0.119882D+02  0.315368D+01 -0.182715D+02 -0.285591D+02 -0.238556D+01
      5   0.775614D+01  0.938267D+01  0.972050D+01 -0.484542D+01  0.646925D+01
      6  -0.379505D+01  0.682630D+01 -0.486924D+01 -0.565798D+01  0.296933D+01
               106           107           108           109           110 
      1  -0.130468D+02  0.467993D+01  0.200116D+02 -0.133352D+01 -0.287343D+01
      2   0.153783D+00 -0.427668D+01 -0.533205D+01  0.248791D+00  0.108826D+01
      3   0.128930D+02 -0.403247D+00 -0.146796D+02  0.108473D+01  0.178517D+01
      4   0.517752D+01  0.238820D+01  0.116099D+02 -0.417448D+00  0.512104D+01
      5   0.105136D+02  0.721984D+01  0.330414D+01  0.640985D+00  0.203854D+01
      6   0.730928D+01  0.167454D+01  0.528493D+00  0.357543D+01  0.256899D+01
               111           112           113           114           115 
      1  -0.270989D+01 -0.698825D+00 -0.980534D+01 -0.917349D+01 -0.218408D+01
      2   0.126794D+01 -0.613451D+00  0.885148D+01  0.602550D+01  0.120997D+01
      3   0.144195D+01  0.131228D+01  0.953857D+00  0.314799D+01  0.974111D+00
      4   0.267765D+01  0.449497D+01 -0.345313D+01 -0.208956D+01  0.320153D+01
      5   0.522782D+01  0.122716D+01 -0.174337D+01 -0.187540D+01  0.436544D+01
      6   0.358058D+01  0.604406D+00  0.126602D+02  0.150888D+02 -0.460330D+00
               116           117           118           119           120 
      1  -0.135968D+02 -0.222260D+02  0.107764D+02 -0.172371D+01  0.211619D+01
      2   0.649175D+01 -0.135252D+01  0.347717D+01 -0.102596D+02  0.848806D+00
      3   0.710508D+01  0.235785D+02 -0.142536D+02  0.119834D+02 -0.296499D+01
      4  -0.492895D+01 -0.580532D+01 -0.222624D+02  0.210603D+02 -0.540033D+01
      5  -0.436736D+01 -0.745019D+01  0.396116D+01 -0.218262D+01  0.452148D+01
      6   0.193998D+02  0.306849D+02 -0.341648D+01  0.182132D+01 -0.368435D+01
               121           122           123           124           125 
      1  -0.125665D+01 -0.392858D+01 -0.946939D-01  0.211574D+01  0.465530D+00
      2  -0.924320D+01  0.175122D+02 -0.363049D+01  0.182126D+01 -0.663015D+01
      3   0.104998D+02 -0.135836D+02  0.372518D+01 -0.393700D+01  0.616462D+01
      4   0.174325D+02 -0.203261D+02  0.415641D+01 -0.921251D+01  0.871489D+01
      5  -0.171870D+01  0.233383D+01 -0.258904D+01  0.515476D+01 -0.431660D+01
      6   0.188076D+01 -0.343617D+01  0.621525D+01 -0.409839D+01  0.748748D+01
               126           127           128           129           130 
      1  -0.183024D+01 -0.503792D+01 -0.114513D+01  0.114869D+02 -0.293585D+01
      2   0.253031D+01 -0.652302D+00  0.826242D+00  0.165463D+01  0.248658D+01
      3  -0.700070D+00  0.569023D+01  0.318883D+00 -0.131415D+02  0.449270D+00
      4  -0.648802D+01 -0.390212D+01  0.134185D+00  0.144419D+01  0.253471D+01
      5   0.372176D+01 -0.171726D+01 -0.135659D+01 -0.300620D+01 -0.134631D+01
      6  -0.273431D+01  0.799638D+00 -0.251314D+01 -0.429181D+01 -0.796948D+00
               131           132           133           134           135 
      1  -0.191917D+01 -0.344643D+00  0.116599D+02 -0.857119D+00 -0.206148D+02
      2   0.160552D+01  0.202321D+01 -0.106900D+01  0.144678D+01 -0.885534D+01
      3   0.313652D+00 -0.167857D+01 -0.105909D+02 -0.589656D+00  0.294701D+02
      4   0.246265D+01  0.191467D+01  0.277341D+01  0.267763D+01 -0.294754D+01
      5   0.146434D+01 -0.178210D+01  0.262898D+01  0.815031D-01  0.112403D+02
      6   0.933865D+00  0.390774D+01 -0.167814D+01  0.465279D+01  0.670119D+01
               136           137           138           139           140 
      1   0.516148D+02 -0.137659D+02  0.102159D+02 -0.226053D+02  0.104012D+02
      2  -0.302313D+02  0.915355D+01 -0.817454D+01  0.133086D+02 -0.335722D+01
      3  -0.213835D+02  0.461238D+01 -0.204141D+01  0.929661D+01 -0.704399D+01
      4  -0.865775D+01  0.118620D+02 -0.184036D+01  0.126049D+02 -0.800996D+01
      5   0.204649D+02 -0.539443D+01  0.121292D+02 -0.102933D+02  0.502999D+01
      6  -0.339225D+01  0.432254D+01 -0.109012D+01  0.426589D+01 -0.315427D+01
               141           142           143           144           145 
      1  -0.458723D+01  0.650250D+01 -0.183788D+01  0.387547D+01  0.962169D+01
      2   0.465049D+01 -0.607833D+01  0.257696D+01 -0.580549D+01 -0.115492D+01
      3  -0.632617D-01 -0.424166D+00 -0.739086D+00  0.193002D+01 -0.846677D+01
      4   0.295007D+01 -0.134184D+01  0.794268D+00 -0.338706D+01  0.110554D+02
      5  -0.763306D+01  0.110321D+02 -0.466502D+01  0.652631D+01  0.386740D+01
      6   0.182339D+01 -0.174375D+01  0.217255D+01 -0.508777D+00  0.164059D+01
               146           147           148           149           150 
      1   0.482280D+01  0.179509D+01  0.691144D+01 -0.243338D+01 -0.123830D+01
      2   0.254776D+01 -0.564602D+00  0.471626D+01  0.258765D+02  0.448218D+00
      3  -0.737055D+01 -0.123049D+01 -0.116277D+02 -0.234431D+02  0.790080D+00
      4   0.164430D+02  0.968416D+00  0.226251D+02  0.414517D+02  0.460436D+01
      5   0.165010D+01  0.268713D+01  0.452596D+01  0.508965D+01  0.679403D+01
      6   0.357827D+01  0.118397D+01  0.528231D+01  0.128219D+02  0.721344D+01
               151           152           153 
      1  -0.618467D+00 -0.113385D+01 -0.290993D+01
      2   0.755572D-01 -0.159690D+01  0.196720D+01
      3   0.542910D+00  0.273075D+01  0.942731D+00
      4  -0.103785D+01 -0.901893D+00  0.377674D+01
      5   0.261843D+01  0.460790D+01  0.613841D+00
      6   0.168247D+01  0.635011D+01  0.100078D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x         -0.116024D+01     -0.294904D+01     -0.983692D+01
   y          0.383638D+00      0.975111D+00      0.325262D+01
   z          0.311602D+00      0.792012D+00      0.264187D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.765775D+02      0.113476D+02      0.126259D+02
   yx        -0.664074D+00     -0.984056D-01     -0.109491D+00
   yy         0.704327D+02      0.104370D+02      0.116128D+02
   zx        -0.124348D+01     -0.184264D+00     -0.205021D+00
   zy        -0.139431D+01     -0.206616D+00     -0.229891D+00
   zz         0.623399D+02      0.923782D+01      0.102785D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.755407D+02      0.111940D+02      0.124550D+02
   aniso      0.147095D+02      0.217972D+01      0.242526D+01
   xx         0.831213D+02      0.123173D+02      0.137049D+02
   yx        -0.924863D+00     -0.137051D+00     -0.152489D+00
   yy         0.764441D+02      0.113278D+02      0.126039D+02
   zx        -0.159910D+01     -0.236963D+00     -0.263657D+00
   zy        -0.189240D+01     -0.280425D+00     -0.312014D+00
   zz         0.670568D+02      0.993679D+01      0.110562D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.31375307          2.60011328         -0.55786525
     6          0.60291535          0.24505832         -2.19928680
     6          0.89397356         -2.03950270         -0.46714025
     6          0.05208436         -1.12652576          2.15491560
     6          0.82036366          1.69637880          2.14618885
     8          0.60033342          0.20261504         -4.47391883
     1         -1.62013454          3.28736603         -0.79843978
     1          1.56308325          4.09663253         -1.22138169
     1          2.90278114         -2.53951272         -0.47007963
     1         -0.14079087         -3.66115645         -1.20271020
     1          1.05302224         -2.13589284          3.64883537
     6         -2.78794957         -1.47654919          2.54787070
     1          2.83324433          1.86408015          2.57383780
     1         -0.20129685          2.78170848          3.56836369
     1         -3.88189063         -0.51277984          1.08460476
     1         -3.38049557         -0.72163501          4.37396586
     1         -3.30102047         -3.47356550          2.48626813

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.126112D+01      0.320545D+01      0.106922D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.628105D+02      0.930756D+01      0.103561D+02
   yx         0.124941D+01      0.185143D+00      0.205999D+00
   yy         0.706724D+02      0.104726D+02      0.116523D+02
   zx        -0.309753D+01     -0.459006D+00     -0.510713D+00
   zy        -0.747027D+00     -0.110698D+00     -0.123168D+00
   zz         0.758671D+02      0.112423D+02      0.125088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.755407D+02      0.111940D+02      0.124550D+02
   aniso      0.147095D+02      0.217972D+01      0.242526D+01
   xx         0.673277D+02      0.997694D+01      0.111008D+02
   yx         0.113048D+01      0.167520D+00      0.186391D+00
   yy         0.768116D+02      0.113823D+02      0.126645D+02
   zx        -0.341503D+01     -0.506056D+00     -0.563063D+00
   zy        -0.742414D+00     -0.110014D+00     -0.122407D+00
   zz         0.824829D+02      0.122227D+02      0.135996D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-35\Freq\RB3LYP\Gen\C6H10O1\PIERPA\08-Jul-2021\0\\#P B
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 Everywhere is walking distance if you have the time.
                                    -- Steven Wright
 Job cpu time:       0 days  2 hours  6 minutes 34.3 seconds.
 Elapsed time:       0 days  0 hours  7 minutes 56.2 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:17:40 2021.
